(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

C6H10O4 — CID 144754191

IUPAC(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@H]1C(=O)OC(CO)[C@@H]1O
InChIInChI=1S/C6H10O4/c1-3-5(8)4(2-7)10-6(3)9/h3-5,7-8H,2H2,1H3/t3-,4?,5+/m0/s1
InChIKeyGPDLGPXIXSDAIU-LJJLCWGRSA-N
MW146.14 g/mol
LogP-1.10
Rot. Bonds1

About (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (PubChem CID 144754191) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
PubChem CID144754191
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@H]1C(=O)OC(CO)[C@@H]1O
InChIInChI=1S/C6H10O4/c1-3-5(8)4(2-7)10-6(3)9/h3-5,7-8H,2H2,1H3/t3-,4?,5+/m0/s1
InChIKeyGPDLGPXIXSDAIU-LJJLCWGRSA-N
XLogP-1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 59511089
(3S,4R,5S,6S)-4-hydroxy-6-(3-hydroxypropyl)-3,5-dimethyloxan-2-one
CID 46894503
(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one
CID 123518429
(3R,4S,5S)-5-(hydroxymethyl)-3-methyl-4-(nitromethyl)oxolan-2-one
CID 102463849
(3R,4S,5S)-4-cyclohexyl-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 10398275
(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
CID 91410550
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 11737786
5,6-diethyl-4-hydroxy-3-methyloxan-2-one;5-ethyl-4-hydroxy-3,6-dimethyloxan-2-one
CID 158583013
sodium;dihydrogen phosphate;(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 23665288
(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
CID 58594793
(4R,5R,6R)-4-hydroxy-5,6-diiodo-3-methyloxan-2-one
CID 89066299

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The IUPAC name of (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (CID 144754191) is (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The canonical SMILES for (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is C[C@@H]1C(=O)OC(CO)[C@@H]1O.
What is the InChIKey of (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The InChIKey is GPDLGPXIXSDAIU-LJJLCWGRSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-5(8)4(2-7)10-6(3)9/h3-5,7-8H,2H2,1H3/t3-,4?,5+/m0/s1.
What are the key properties of (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one has a molecular weight of 146.14 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 144754191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).