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

C6H8O4 — CID 11298030

IUPAC(4R,5S)-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+/m1/s1
InChIKeyNCKMZWFKQTWDTD-XINAWCOVSA-N
MW144.13 g/mol
LogP-1.79
Rot. Bonds1

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

(4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one (PubChem CID 11298030) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
PubChem CID11298030
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(4R,5S)-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+/m1/s1
InChIKeyNCKMZWFKQTWDTD-XINAWCOVSA-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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Related Compounds

(4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one
CID 162082
Pentenocin B
CID 9815266
G 2201C
CID 128335
5-Epipentenomycin I
CID 10261204
2-Cyclopenten-1-one, 5-((acetyloxy)methyl)-4,5-dihydroxy-, (4S-cis)-
CID 3044301
(4R,5S)-4,5-Dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-EN-1-one
CID 11480581
Ctk0I7102
CID 11815990
1-Oxaspiro[2.4]hept-5-en-4-one, 7-hydroxy-, (3S,7R)-
CID 11423593
(5S)-5-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
CID 101505261
2-Cyclopenten-1-one, 4,5-dihydroxy-
CID 10197660
trans-4,5-Dihydr-oxy-2-cyclopenten-1-one
CID 57503889
trans-4,5-Dihydroxy-2-cyclopenten-1-one
CID 59934929

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one (CID 11298030) is (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-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 (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
The InChIKey is NCKMZWFKQTWDTD-XINAWCOVSA-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+/m1/s1.
What are the key properties of (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one?
(4R,5S)-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 (4R,5S)-4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 11298030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).