(3R,4S)-oxolane-3,4-diol

C4H8O3 — CID 641773

IUPAC(3R,4S)-oxolane-3,4-diol
SMILESO[C@@H]1COC[C@@H]1O
InChIInChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKeySSYDTHANSGMJTP-ZXZARUISSA-N
MW104.11 g/mol
LogP-1.26
Rot. Bonds

About (3R,4S)-oxolane-3,4-diol

(3R,4S)-oxolane-3,4-diol (PubChem CID 641773) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is (3R,4S)-oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-oxolane-3,4-diol
PubChem CID641773
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name(3R,4S)-oxolane-3,4-diol
SMILESO[C@@H]1COC[C@@H]1O
InChIInChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKeySSYDTHANSGMJTP-ZXZARUISSA-N
XLogP-1.26
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 ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-oxolane-3,4-diol?
The IUPAC name of (3R,4S)-oxolane-3,4-diol (CID 641773) is (3R,4S)-oxolane-3,4-diol.
What is the SMILES notation for (3R,4S)-oxolane-3,4-diol?
The canonical SMILES for (3R,4S)-oxolane-3,4-diol is O[C@@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-oxolane-3,4-diol?
The InChIKey is SSYDTHANSGMJTP-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+.
What are the key properties of (3R,4S)-oxolane-3,4-diol?
(3R,4S)-oxolane-3,4-diol has a molecular weight of 104.11 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-oxolane-3,4-diol is sourced from PubChem (CID 641773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).