(4S)-oxolane-2,4-diol

C4H8O3 — CID 16655459

IUPAC(4S)-oxolane-2,4-diol
SMILESOC1C[C@H](O)CO1
InChIInChI=1S/C4H8O3/c5-3-1-4(6)7-2-3/h3-6H,1-2H2/t3-,4?/m0/s1
InChIKeyJLQZBFCQUPAOJC-WUCPZUCCSA-N
MW104.11 g/mol
LogP-0.91
Rot. Bonds

About (4S)-oxolane-2,4-diol

(4S)-oxolane-2,4-diol (PubChem CID 16655459) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is (4S)-oxolane-2,4-diol.

Molecular Properties

Compound Name(4S)-oxolane-2,4-diol
PubChem CID16655459
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name(4S)-oxolane-2,4-diol
SMILESOC1C[C@H](O)CO1
InChIInChI=1S/C4H8O3/c5-3-1-4(6)7-2-3/h3-6H,1-2H2/t3-,4?/m0/s1
InChIKeyJLQZBFCQUPAOJC-WUCPZUCCSA-N
XLogP-0.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-oxolane-2,4-diol?
The IUPAC name of (4S)-oxolane-2,4-diol (CID 16655459) is (4S)-oxolane-2,4-diol.
What is the SMILES notation for (4S)-oxolane-2,4-diol?
The canonical SMILES for (4S)-oxolane-2,4-diol is OC1C[C@H](O)CO1.
What is the InChIKey of (4S)-oxolane-2,4-diol?
The InChIKey is JLQZBFCQUPAOJC-WUCPZUCCSA-N. The full InChI is InChI=1S/C4H8O3/c5-3-1-4(6)7-2-3/h3-6H,1-2H2/t3-,4?/m0/s1.
What are the key properties of (4S)-oxolane-2,4-diol?
(4S)-oxolane-2,4-diol has a molecular weight of 104.11 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-oxolane-2,4-diol is sourced from PubChem (CID 16655459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).