(4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one

C6H8O4 — CID 10261204

IUPAC(4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@]1(O)CO
InChIInChI=1S/C6H8O4/c7-3-6(10)4(8)1-2-5(6)9/h1-2,4,7-8,10H,3H2/t4-,6+/m0/s1
InChIKeyNCKMZWFKQTWDTD-UJURSFKZSA-N
MW144.13 g/mol
LogP-1.79
Rot. Bonds1

About (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one

(4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one (PubChem CID 10261204) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
PubChem CID10261204
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@]1(O)CO
InChIInChI=1S/C6H8O4/c7-3-6(10)4(8)1-2-5(6)9/h1-2,4,7-8,10H,3H2/t4-,6+/m0/s1
InChIKeyNCKMZWFKQTWDTD-UJURSFKZSA-N
XLogP-1.79
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one (CID 10261204) is (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one is O=C1C=C[C@H](O)[C@]1(O)CO.
What is the InChIKey of (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
The InChIKey is NCKMZWFKQTWDTD-UJURSFKZSA-N. The full InChI is InChI=1S/C6H8O4/c7-3-6(10)4(8)1-2-5(6)9/h1-2,4,7-8,10H,3H2/t4-,6+/m0/s1.
What are the key properties of (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
(4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one has a molecular weight of 144.13 g/mol, XLogP of -1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 10261204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).