(3R,4S)-3,4,5-trihydroxypentanal

• ChemBase ID: 127998
• Molecular Formular: C5H10O4
• Molecular Mass: 134.1305
• Monoisotopic Mass: 134.0579088
• SMILES: O=CC[C@@H](O)[C@@H](O)CO
• Canonical SMILES: O[C@@H]([C@H](CO)O)CC=O
• InChI: InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m1/s1
• InChIKey: ASJSAQIRZKANQN-UHNVWZDZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-3,4,5-trihydroxypentanal
• IUPAC Traditional name: L-deoxyribose
• Synonyms: 2-Deoxy-L-erythro-pentose; 2-Deoxy-L-ribose; L-2-Deoxyribose; L-Deoxyribose

Database IDs

• CAS Number: 18546-37-7
• PubChem SID: 162222314
• PubChem CID: 6994527
• Chemspider ID: 5362530
• Wikipedia Title: L-Deoxyribose

CALCULATED PROPERTIES

• Acid pKa: 11.596483
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.2228675
• LogD (pH = 7.4): -2.2228947
• Log P: -2.2228673
• Molar Refractivity: 30.0449 cm^3
• Polarizability: 12.021338 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White solid