cis-(1R,3S)-cyclohexane-1,2,3-triol

C6H12O3 — CID 58446507

IUPACcis-(1R,3S)-cyclohexane-1,2,3-triol
SMILESOC1[C@H](O)CCC[C@@H]1O
InChIInChI=1S/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2/t4-,5+,6?
InChIKeyIZSANPWSFUSNMY-XEAPYIEGSA-N
MW132.16 g/mol
LogP-0.75
Rot. Bonds

About cis-(1R,3S)-cyclohexane-1,2,3-triol

cis-(1R,3S)-cyclohexane-1,2,3-triol (PubChem CID 58446507) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is cis-(1R,3S)-cyclohexane-1,2,3-triol.

Molecular Properties

Compound Namecis-(1R,3S)-cyclohexane-1,2,3-triol
PubChem CID58446507
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namecis-(1R,3S)-cyclohexane-1,2,3-triol
SMILESOC1[C@H](O)CCC[C@@H]1O
InChIInChI=1S/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2/t4-,5+,6?
InChIKeyIZSANPWSFUSNMY-XEAPYIEGSA-N
XLogP-0.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

An inositol
CID 892
1,2,6-Hexanetriol
CID 7823
trans-1,2-Cyclohexanediol
CID 92886
cis-1,2-Cyclohexanediol
CID 92903
1,2-Cyclohexanediol
CID 13601
Quercitol
CID 441437
1,3-Cyclohexanediol
CID 10433
1,2-Cyclohexanediol, (1S-trans)-
CID 7057110
L-chiro-Inositol, 1-deoxy-
CID 441438
1,3,5-Cyclohexanetriol, (1alpha,3alpha,5alpha)-
CID 230351
(1S,2R,4R,5S)-Cyclohexane-1,2,3,4,5-pentol
CID 12309654
1,2,3,4,5-Cyclohexanepentol
CID 101715

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-cyclohexane-1,2,3-triol?
The IUPAC name of cis-(1R,3S)-cyclohexane-1,2,3-triol (CID 58446507) is cis-(1R,3S)-cyclohexane-1,2,3-triol.
What is the SMILES notation for cis-(1R,3S)-cyclohexane-1,2,3-triol?
The canonical SMILES for cis-(1R,3S)-cyclohexane-1,2,3-triol is OC1[C@H](O)CCC[C@@H]1O.
What is the InChIKey of cis-(1R,3S)-cyclohexane-1,2,3-triol?
The InChIKey is IZSANPWSFUSNMY-XEAPYIEGSA-N. The full InChI is InChI=1S/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2/t4-,5+,6?.
What are the key properties of cis-(1R,3S)-cyclohexane-1,2,3-triol?
cis-(1R,3S)-cyclohexane-1,2,3-triol has a molecular weight of 132.16 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-cyclohexane-1,2,3-triol is sourced from PubChem (CID 58446507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).