2,3,4,5,6-pentahydroxycyclohexan-1-one

C6H10O6 — CID 452

IUPAC2,3,4,5,6-pentahydroxycyclohexan-1-one
SMILESO=C1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H
InChIKeyVYEGBDHSGHXOGT-UHFFFAOYSA-N
MW178.14 g/mol
LogP-3.63
Rot. Bonds

About 2,3,4,5,6-pentahydroxycyclohexan-1-one

2,3,4,5,6-pentahydroxycyclohexan-1-one (PubChem CID 452) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxycyclohexan-1-one.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxycyclohexan-1-one
PubChem CID452
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2,3,4,5,6-pentahydroxycyclohexan-1-one
SMILESO=C1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H
InChIKeyVYEGBDHSGHXOGT-UHFFFAOYSA-N
XLogP-3.63
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-3.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2,3,4,5,6-pentahydroxycyclohexan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

D-(-)-Fructose
CID 5984
L-(-)-Sorbose
CID 6904
2-Hexulosonic acid
CID 50
Psicose
CID 90008
D-Sedoheptulose
CID 5459879
2-keto-D-Gluconic acid
CID 3035456
D-manno-2-heptulose
CID 102926
2-Keto-3-deoxy-D-gluconic acid
CID 194024
(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 92092
D-Sorbose
CID 107428
L-Fructose
CID 5460024
2-keto-L-Gulonic acid
CID 102424

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxycyclohexan-1-one?
The IUPAC name of 2,3,4,5,6-pentahydroxycyclohexan-1-one (CID 452) is 2,3,4,5,6-pentahydroxycyclohexan-1-one.
What is the SMILES notation for 2,3,4,5,6-pentahydroxycyclohexan-1-one?
The canonical SMILES for 2,3,4,5,6-pentahydroxycyclohexan-1-one is O=C1C(O)C(O)C(O)C(O)C1O.
What is the InChIKey of 2,3,4,5,6-pentahydroxycyclohexan-1-one?
The InChIKey is VYEGBDHSGHXOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H.
What are the key properties of 2,3,4,5,6-pentahydroxycyclohexan-1-one?
2,3,4,5,6-pentahydroxycyclohexan-1-one has a molecular weight of 178.14 g/mol, XLogP of -3.63, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxycyclohexan-1-one is sourced from PubChem (CID 452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).