(4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one

C6H8O4 — CID 44511908

IUPAC(4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h1-3,5-7,9-10H/t3-,5+,6+/m0/s1
InChIKeyUDGPTYYVDNKAPG-OTWZMJIISA-N
MW144.13 g/mol
LogP-1.79
Rot. Bonds

About (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one

(4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one (PubChem CID 44511908) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one
PubChem CID44511908
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h1-3,5-7,9-10H/t3-,5+,6+/m0/s1
InChIKeyUDGPTYYVDNKAPG-OTWZMJIISA-N
XLogP-1.79
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-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

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one?
The IUPAC name of (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one (CID 44511908) is (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one.
What is the SMILES notation for (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one?
The canonical SMILES for (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one is O=C1C=C[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one?
The InChIKey is UDGPTYYVDNKAPG-OTWZMJIISA-N. The full InChI is InChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h1-3,5-7,9-10H/t3-,5+,6+/m0/s1.
What are the key properties of (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one?
(4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one has a molecular weight of 144.13 g/mol, XLogP of -1.79, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6S)-4,5,6-trihydroxycyclohex-2-en-1-one is sourced from PubChem (CID 44511908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).