(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid

Compound number:
MolPort-001-740-212
CAS number: 327-97-9
IUPAC:
(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
IUPAC traditional:
chlorogenic acid
SMILES:
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
InChI key:
CWVRJTMFETXNAD-JUHZACGLSA-N
Molecular formula:
C16H18O9
Molecular weight: 354.311

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Price range: from to USD Pack size: from to mg
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Catalog: Screening compound Ships out: 15 business days Purity: 98
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1 mg September 13, 2019 88.55 USD
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2 mg September 13, 2019 118.45 USD
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3 mg September 13, 2019 148.35 USD
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Catalog: Screening compound Ships out: 7 business days Purity: 99.4%
Last updated: last month In warehouse: 601.52 mg
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25 mg September 3, 2019 50.00 USD
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50 mg September 3, 2019 77.00 USD
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100 mg September 3, 2019 111.00 USD
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Catalog: Screening compound Ships out: 7 business days Purity: n/a
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500 mg September 3, 2019 64.90 USD
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Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: > 3 months ago In warehouse: Unverified Salt: Free Base
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50 mg September 3, 2019 114.00 USD
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5 g September 3, 2019 1143.60 USD
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S&H to USA: 50.00 USD
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Catalog: Screening compound Ships out: 5 business days Purity: >=98%
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20 mg August 30, 2019 30.00 USD
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Catalog: Screening compound Ships out: 5 business days Purity: 98
Last updated: > 3 months ago In warehouse: 500.00 mg
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3 mg August 30, 2019 10.00 USD
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5 mg August 30, 2019 15.00 USD
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Catalog: Building blocks Ships out: 2 business days Purity: 98% (HPLC)
Last updated: this month In warehouse: 57.23 g
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1 g August 27, 2019 21.00 USD
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5 g August 27, 2019 61.00 USD
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10 g August 27, 2019 94.00 USD
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Catalog: Building blocks Ships out: 2 business days Purity: 99% (HPLC)
Last updated: this month In warehouse: 57.23 g
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25 mg August 27, 2019 19.80 USD
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100 mg August 27, 2019 57.20 USD
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Catalog: Building blocks Ships out: 2 business days Purity: 98% (HPLC)
Last updated: this month In warehouse: 99.75 g
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1 g August 27, 2019 64.00 USD
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5 g August 27, 2019 221.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
Last updated: 3 months ago In warehouse: Unverified
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1 g September 3, 2019 36.00 USD
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5 g September 3, 2019 68.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: >95%
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500 mg September 6, 2019 410.00 USD
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1 g September 6, 2019 700.00 USD
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5 g September 6, 2019 1745.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: n/a
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1 g September 6, 2019 60.00 USD
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5 g September 6, 2019 190.00 USD
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Catalog: Building blocks Ships out: 5 business days Purity: 95%
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1 g August 30, 2019 23.12 USD
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5 g August 30, 2019 69.36 USD
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10 g August 30, 2019 110.16 USD
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S&H to USA: 58.35 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 98.0
Last updated: > 3 months ago In warehouse: 500.00 g
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50 g September 6, 2019 417.00 USD
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100 g September 6, 2019 470.00 USD
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S&H to USA: 140.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: n/a
Last updated: > 3 months ago In warehouse: Unverified
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500 mg September 6, 2019 350.00 USD
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1 g September 6, 2019 595.00 USD
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5 g September 6, 2019 1490.00 USD
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S&H to USA: 80.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 98%
Last updated: 3 months ago In warehouse: Unverified
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1 g September 6, 2019 17.00 USD
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5 g September 6, 2019 49.00 USD
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10 g September 6, 2019 76.00 USD
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S&H to USA: 80.00 USD
S&H to World: 100.00 USD

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Catalog: Building blocks Ships out: 10 business days Purity: 98%
Last updated: > 3 months ago In warehouse: Unverified
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1 g September 6, 2019 35.00 USD
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5 g September 6, 2019 79.00 USD
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10 g September 6, 2019 116.00 USD
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S&H to USA: 105.00 USD
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Catalog: Made to order Ships out: 30 business days Purity: n/a
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5 g October 4, 2019 63.72 USD
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More Information

Compound Identifiers
Compound number: MolPort-001-740-212
CAS number: 327-97-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000002138728
MFCD00003862
"1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid"
1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate)
1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid 3-[3,4-dihydroxycinnamate]
(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid
(1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid
3-[[3-(3,4-dihydroxyphenyl)-1-oxy-2-propenyl]oxy]-1,4,5-trihydroxy-1, [1S-(1 a , 3 ß , 4 a , 5 a )]
3-(3,4-Dihydroxycinnamoyl)quinic acid
3-O-Caffeoylquinic acidHeriguardNSC-407296
3R-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1S,4R,5R-trihydroxy-cyclohexanecarboxylic acid
(3R)-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxyl]-1S,4R,5R-trihydroxy-cyclohexanecarboxylic acid
CHLOROGENIC ACID
Chlorogenic acid   
Chlorogenic acid, Chiral
Chlorogenic acid hemihydrate
CHLOROGENICACID
Cyclohexanecarboxylic acid,3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-
NSC 407296Heriguard

InChI
InChI: 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChI key: CWVRJTMFETXNAD-JUHZACGLSA-N

Calculated Properties
Molecular formula: C16H18O9
Molecular weight: 354.311

Other

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2019 MolPort, v3.11, release date 23-08-2019 16:00 (+0200). All rights reserved.
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