(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde

C6H6O6 — CID 71660639

IUPAC(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-2,5,8-10H/t2-,5+/m0/s1
InChIKeyHKMGTBOLJQLMES-JLAZNSOCSA-N
MW174.11 g/mol
LogP-1.20
Rot. Bonds2

About (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde

(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde (PubChem CID 71660639) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde
PubChem CID71660639
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-2,5,8-10H/t2-,5+/m0/s1
InChIKeyHKMGTBOLJQLMES-JLAZNSOCSA-N
XLogP-1.20
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde 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 (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde?
The IUPAC name of (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde (CID 71660639) is (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde.
What is the SMILES notation for (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde?
The canonical SMILES for (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde is O=C[C@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde?
The InChIKey is HKMGTBOLJQLMES-JLAZNSOCSA-N. The full InChI is InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-2,5,8-10H/t2-,5+/m0/s1.
What are the key properties of (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde?
(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde has a molecular weight of 174.11 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetaldehyde is sourced from PubChem (CID 71660639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).