(3R,4S)-3,4-dihydroxyoxolan-2-one

C4H6O4 — CID 2724794

IUPAC(3R,4S)-3,4-dihydroxyoxolan-2-one
SMILESO=C1OC[C@H](O)[C@H]1O
InChIInChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1
InChIKeySGMJBNSHAZVGMC-STHAYSLISA-N
MW118.09 g/mol
LogP-1.74
Rot. Bonds

About (3R,4S)-3,4-dihydroxyoxolan-2-one

(3R,4S)-3,4-dihydroxyoxolan-2-one (PubChem CID 2724794) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is (3R,4S)-3,4-dihydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4S)-3,4-dihydroxyoxolan-2-one
PubChem CID2724794
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name(3R,4S)-3,4-dihydroxyoxolan-2-one
SMILESO=C1OC[C@H](O)[C@H]1O
InChIInChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1
InChIKeySGMJBNSHAZVGMC-STHAYSLISA-N
XLogP-1.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dihydroxyoxolan-2-one?
The IUPAC name of (3R,4S)-3,4-dihydroxyoxolan-2-one (CID 2724794) is (3R,4S)-3,4-dihydroxyoxolan-2-one.
What is the SMILES notation for (3R,4S)-3,4-dihydroxyoxolan-2-one?
The canonical SMILES for (3R,4S)-3,4-dihydroxyoxolan-2-one is O=C1OC[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S)-3,4-dihydroxyoxolan-2-one?
The InChIKey is SGMJBNSHAZVGMC-STHAYSLISA-N. The full InChI is InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1.
What are the key properties of (3R,4S)-3,4-dihydroxyoxolan-2-one?
(3R,4S)-3,4-dihydroxyoxolan-2-one has a molecular weight of 118.09 g/mol, XLogP of -1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dihydroxyoxolan-2-one is sourced from PubChem (CID 2724794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).