(3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one

C5H8O4 — CID 11137204

IUPAC(3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@@H](CO)C[C@@H]1O
InChIInChI=1S/C5H8O4/c6-2-3-1-4(7)5(8)9-3/h3-4,6-7H,1-2H2/t3-,4+/m1/s1
InChIKeyQJAIXGZDDWCQCC-DMTCNVIQSA-N
MW132.11 g/mol
LogP-1.34
Rot. Bonds1

About (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one

(3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one (PubChem CID 11137204) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one
PubChem CID11137204
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@@H](CO)C[C@@H]1O
InChIInChI=1S/C5H8O4/c6-2-3-1-4(7)5(8)9-3/h3-4,6-7H,1-2H2/t3-,4+/m1/s1
InChIKeyQJAIXGZDDWCQCC-DMTCNVIQSA-N
XLogP-1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one
CID 11769073
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one
CID 14859657
5-(hydroxymethyl)-3-methyloxolan-2-one
CID 13462626
ethene;5-(hydroxymethyl)-3-methyloxolan-2-one
CID 142303807
5-hexyl-3-hydroxyoxolan-2-one
CID 14303265
(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one
CID 163712625
methyl 5-(hydroxymethyl)-2-oxooxolane-3-carboxylate
CID 75089899
(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one
CID 15560245
acetylene;(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-one;hydrate
CID 143206459
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950006
5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one
CID 23872094

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one (CID 11137204) is (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one is O=C1O[C@@H](CO)C[C@@H]1O.
What is the InChIKey of (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is QJAIXGZDDWCQCC-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8O4/c6-2-3-1-4(7)5(8)9-3/h3-4,6-7H,1-2H2/t3-,4+/m1/s1.
What are the key properties of (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one?
(3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 132.11 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 11137204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).