(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol

C7H14O6 — CID 7020271

IUPAC(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
SMILESCOC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6-,7?/m0/s1
InChIKeyDSCFFEYYQKSRSV-YXNPICFBSA-N
MW194.18 g/mol
LogP-3.18
Rot. Bonds1

About (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol

(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol (PubChem CID 7020271) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
PubChem CID7020271
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
SMILESCOC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6-,7?/m0/s1
InChIKeyDSCFFEYYQKSRSV-YXNPICFBSA-N
XLogP-3.18
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-3.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol 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 (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol (CID 7020271) is (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol is COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol?
The InChIKey is DSCFFEYYQKSRSV-YXNPICFBSA-N. The full InChI is InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6-,7?/m0/s1.
What are the key properties of (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol?
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol has a molecular weight of 194.18 g/mol, XLogP of -3.18, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 7020271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).