(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid

Compound number
MolPort-001-742-493
CAS number
77-95-2
IUPAC
(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
IUPAC traditional
(-)-quinic acid
SMILES
O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O |r,wU:3.10,1.0,wD:3.3,8.9,6.6,(13.19,-13.6,;11.85,-12.8,;11.88,-11.3,;10.54,-10.51,;9.72,-9.23,;9.23,-11.26,;9.18,-12.8,;7.84,-13.6,;10.51,-13.56,;10.51,-15.11,;11.53,-9.33,;13.01,-9.61,;11.01,-7.92,)|
InChI key
AAWZDTNXLSGCEK-WYWMIBKRSA-N
Molecular formula
Molecular weight
192.167
Solubility
not available

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More Information

Compound identifiers

Compound number
MolPort-001-742-493
CAS number
77-95-2

Names, Synonyms and 3rd Party Identifiers

Name
"1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid"
(-)-Chinas?ure
(1?,3R,4?,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
(1??,3R,4??,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
(3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid
(R,3R,4R,5R)-(-)-Quinic acid
-Quinic acid
1,3,4,5-Tetrahydroxy-cyclohexanecarboxylic acid
Chinic acid, Kinic acid
Chinic acidKinic acidQuinate
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R)-
D-(-)-Quinic Acid
Quinic acid
MFCD00003864

InChI

InChI
1/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
InChI key
AAWZDTNXLSGCEK-WYWMIBKRSA-N

Formula

Molecular formula
C7H12O6
Molecular weight
192.167

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