(2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one

C6H10O5 — CID 10583108

IUPAC(2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one
SMILESO=C1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-7,9-11H,1H2/t2-,4+,5-,6-/m1/s1
InChIKeyGZYCZKBRQBKGJW-FSZQNWAESA-N
MW162.14 g/mol
LogP-2.60
Rot. Bonds

About (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one

(2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one (PubChem CID 10583108) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one
PubChem CID10583108
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one
SMILESO=C1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-7,9-11H,1H2/t2-,4+,5-,6-/m1/s1
InChIKeyGZYCZKBRQBKGJW-FSZQNWAESA-N
XLogP-2.60
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-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

L-(-)-Sorbose
CID 6904
D-(-)-Fructose
CID 5984
Psicose
CID 90008
D-Sedoheptulose
CID 5459879
2-keto-D-Gluconic acid
CID 3035456
D-manno-2-heptulose
CID 102926
2-Hexulosonic acid
CID 50
2-keto-L-Gulonic acid
CID 102424
(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 92092
D-Sorbose
CID 107428
2-Keto-3-deoxy-D-gluconic acid
CID 194024
2-dehydro-3-deoxy-D-gluconic acid
CID 161227

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one?
The IUPAC name of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one (CID 10583108) is (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one.
What is the SMILES notation for (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one?
The canonical SMILES for (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one is O=C1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one?
The InChIKey is GZYCZKBRQBKGJW-FSZQNWAESA-N. The full InChI is InChI=1S/C6H10O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-7,9-11H,1H2/t2-,4+,5-,6-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one?
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one has a molecular weight of 162.14 g/mol, XLogP of -2.60, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2,3,4,5-tetrahydroxycyclohexan-1-one is sourced from PubChem (CID 10583108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).