trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol

C6H12O4 — CID 45102944

IUPACtrans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
SMILESOC1C[C@@H](O)C(O)[C@H](O)C1
InChIInChI=1S/C6H12O4/c7-3-1-4(8)6(10)5(9)2-3/h3-10H,1-2H2/t3?,4-,5-,6?/m1/s1
InChIKeySNGBOMOBDFAYFR-WATOWXBHSA-N
MW148.16 g/mol
LogP-1.78
Rot. Bonds

About trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol

trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol (PubChem CID 45102944) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol.

Molecular Properties

Compound Nametrans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
PubChem CID45102944
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Nametrans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
SMILESOC1C[C@@H](O)C(O)[C@H](O)C1
InChIInChI=1S/C6H12O4/c7-3-1-4(8)6(10)5(9)2-3/h3-10H,1-2H2/t3?,4-,5-,6?/m1/s1
InChIKeySNGBOMOBDFAYFR-WATOWXBHSA-N
XLogP-1.78
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol?
The IUPAC name of trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol (CID 45102944) is trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol.
What is the SMILES notation for trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol?
The canonical SMILES for trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol is OC1C[C@@H](O)C(O)[C@H](O)C1.
What is the InChIKey of trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol?
The InChIKey is SNGBOMOBDFAYFR-WATOWXBHSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-1-4(8)6(10)5(9)2-3/h3-10H,1-2H2/t3?,4-,5-,6?/m1/s1.
What are the key properties of trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol?
trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol has a molecular weight of 148.16 g/mol, XLogP of -1.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol is sourced from PubChem (CID 45102944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).