cyclohexane-1,2,3,4,5,6-hexol
C₆H₁₂O₆·180.160 g/mol·CID 892
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
180.160g/mol
Exact Mass
180.063388Da
Monoisotopic Mass
180.063388Da
XLogP
-3.7
Polar Surface Area
121.0Ų
Complexity
104
Formal Charge
0
H-Bond Donors
6
H-Bond Acceptors
6
Rotatable Bonds
0
Heavy Atoms
12
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 180.2 g/mol
MW ≤ 500
✓ -3.7
LogP ≤ 5
✗ 6
H-bond donors ≤ 5
✓ 6
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₆H₁₂O₆
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 5793 · 180.2 g/mol
(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 2723872 · 180.2 g/mol
(3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 439312 · 180.2 g/mol
(3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6036 · 180.2 g/mol
6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 206 · 180.2 g/mol
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 64689 · 180.2 g/mol
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 439709 · 180.2 g/mol
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 24310 · 180.2 g/mol