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

C6H10O4 — CID 58758225

IUPAC(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one
SMILESC[C@@H]1OC(CO)[C@@H](O)C1=O
InChIInChI=1S/C6H10O4/c1-3-5(8)6(9)4(2-7)10-3/h3-4,6-7,9H,2H2,1H3/t3-,4?,6+/m0/s1
InChIKeyFDNRLYCZTUOWMU-QERKPNDOSA-N
MW146.14 g/mol
LogP-1.30
Rot. Bonds1

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

(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one (PubChem CID 58758225) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one
PubChem CID58758225
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one
SMILESC[C@@H]1OC(CO)[C@@H](O)C1=O
InChIInChI=1S/C6H10O4/c1-3-5(8)6(9)4(2-7)10-3/h3-4,6-7,9H,2H2,1H3/t3-,4?,6+/m0/s1
InChIKeyFDNRLYCZTUOWMU-QERKPNDOSA-N
XLogP-1.30
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 ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol
CID 154434446
(3R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 135043917
(3R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 118285722
(2S,3S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-one
CID 118274789
trihydroxy-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxooxolan-2-yl]phosphanium
CID 57151462
(2S,3S,5R,6R)-3-deuterio-3,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-4-one
CID 10442587
(5R)-5-ethyl-2,4-dimethyloxolan-3-one
CID 59796353
(2R,3R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-one
CID 3082234
(2S,3S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-one
CID 102496077
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one
CID 118285747
(2R,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-one
CID 175884762

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one?
The IUPAC name of (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one (CID 58758225) is (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one.
What is the SMILES notation for (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one?
The canonical SMILES for (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one is C[C@@H]1OC(CO)[C@@H](O)C1=O.
What is the InChIKey of (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one?
The InChIKey is FDNRLYCZTUOWMU-QERKPNDOSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-5(8)6(9)4(2-7)10-3/h3-4,6-7,9H,2H2,1H3/t3-,4?,6+/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one?
(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one has a molecular weight of 146.14 g/mol, XLogP of -1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one is sourced from PubChem (CID 58758225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).