(3R,4S)-3,4-dihydro-2H-pyran-3,4-diol

C5H8O3 — CID 11804722

IUPAC(3R,4S)-3,4-dihydro-2H-pyran-3,4-diol
SMILESO[C@@H]1COC=C[C@@H]1O
InChIInChI=1S/C5H8O3/c6-4-1-2-8-3-5(4)7/h1-2,4-7H,3H2/t4-,5+/m0/s1
InChIKeyCQWFJIVHGWJYKB-CRCLSJGQSA-N
MW116.12 g/mol
LogP-0.75
Rot. Bonds

About (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol

(3R,4S)-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 11804722) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID11804722
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(3R,4S)-3,4-dihydro-2H-pyran-3,4-diol
SMILESO[C@@H]1COC=C[C@@H]1O
InChIInChI=1S/C5H8O3/c6-4-1-2-8-3-5(4)7/h1-2,4-7H,3H2/t4-,5+/m0/s1
InChIKeyCQWFJIVHGWJYKB-CRCLSJGQSA-N
XLogP-0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol (CID 11804722) is (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol is O[C@@H]1COC=C[C@@H]1O.
What is the InChIKey of (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is CQWFJIVHGWJYKB-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H8O3/c6-4-1-2-8-3-5(4)7/h1-2,4-7H,3H2/t4-,5+/m0/s1.
What are the key properties of (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol?
(3R,4S)-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 116.12 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 11804722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).