1-[(2R,3R,4R,5R)-4-[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}[({[(propan-2-yloxy)carbonyl]oxy}methyl)sulfanyl]phosphoryl)oxy]-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

Compound number:
MolPort-046-683-217
CAS number: 942123-43-5
IUPAC:
1-[(2R,3R,4R,5R)-4-[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}[({[(propan-2-yloxy)carbonyl]oxy}methyl)sulfanyl]phosphoryl)oxy]-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC traditional:
1-[(2R,3R,4R,5R)-4-({[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy({[(isopropoxycarbonyl)oxy]methyl}sulfanyl)phosphoryl}oxy)-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3H-pyrimidine-2,4-dione
SMILES:
CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)n2cnc3c(N)ncnc23)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O |r|
InChI key:
CJCYTUJOSMYXLE-JDLSZIHUSA-N
Molecular formula:
C25H34N7O13PS
Molecular weight: 703.62
Sample Reformatting

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
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5 mg October 25, 2019 591.18 USD
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10 mg October 25, 2019 913.32 USD
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25 mg October 25, 2019 1880.92 USD
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S&H to USA: 80.00 USD
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Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 98%
Last updated: > 3 months ago In warehouse: Unverified
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5 mg October 30, 2019 866.00 USD
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10 mg October 30, 2019 1297.00 USD
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25 mg October 30, 2019 2591.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-046-683-217
CAS number: 942123-43-5

Names, Synonyms and 3rd Party Identifiers
Inarigivir soproxil
SB9200

InChI
InChI: 1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1
InChI key: CJCYTUJOSMYXLE-JDLSZIHUSA-N

Calculated Properties
Molecular formula: C25H34N7O13PS
Molecular weight: 703.62

Other

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Small molecule library types and suppliers
2019 MolPort, v3.22, release date 14-10-2019 15:00 (+0200). All rights reserved.
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