(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid

C8H12O6 — CID 68905410

IUPAC(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H12O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h3-6,9-10H,1-2H2,(H,11,12)(H,13,14)/t3-,4+,5+,6-
InChIKeyIMRVRTDYOOJNHM-GUCUJZIJSA-N
MW204.18 g/mol
LogP-1.10
Rot. Bonds2

About (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid

(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid (PubChem CID 68905410) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
PubChem CID68905410
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H12O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h3-6,9-10H,1-2H2,(H,11,12)(H,13,14)/t3-,4+,5+,6-
InChIKeyIMRVRTDYOOJNHM-GUCUJZIJSA-N
XLogP-1.10
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
4-hydroxy-5-methylcyclohexane-1,2-dicarboxylic acid
CID 71027320
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
trans-(1S,2S)-2-(dihydroxymethyl)cyclopropane-1-carboxylic acid
CID 89399959
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199
cis-(2R,3S)-2,3,4-trihydroxycyclohexane-1-carboxylic acid
CID 89269522

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid?
The IUPAC name of (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid (CID 68905410) is (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid is O=C(O)[C@H]1C[C@@H](O)[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid?
The InChIKey is IMRVRTDYOOJNHM-GUCUJZIJSA-N. The full InChI is InChI=1S/C8H12O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h3-6,9-10H,1-2H2,(H,11,12)(H,13,14)/t3-,4+,5+,6-.
What are the key properties of (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid?
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid has a molecular weight of 204.18 g/mol, XLogP of -1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 68905410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).