(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one

C5H8O4 — CID 10997077

IUPAC(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
SMILESC[C@@]1(O)C(=O)OC[C@@H]1O
InChIInChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m0/s1
InChIKeyOHTGZAWPVDWARE-UCORVYFPSA-N
MW132.11 g/mol
LogP-1.34
Rot. Bonds

About (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one

(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one (PubChem CID 10997077) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
PubChem CID10997077
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
SMILESC[C@@]1(O)C(=O)OC[C@@H]1O
InChIInChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m0/s1
InChIKeyOHTGZAWPVDWARE-UCORVYFPSA-N
XLogP-1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
The IUPAC name of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one (CID 10997077) is (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one.
What is the SMILES notation for (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
The canonical SMILES for (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one is C[C@@]1(O)C(=O)OC[C@@H]1O.
What is the InChIKey of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
The InChIKey is OHTGZAWPVDWARE-UCORVYFPSA-N. The full InChI is InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m0/s1.
What are the key properties of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one has a molecular weight of 132.11 g/mol, XLogP of -1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one is sourced from PubChem (CID 10997077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).