(2S,3S,4S)-2,3,4,5-tetrahydroxypentanal

• ChemBase ID: 105548
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: O=C[C@@H](O)[C@@H](O)[C@@H](O)CO
• Canonical SMILES: OC[C@@H]([C@@H]([C@@H](C=O)O)O)O
• InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1
• InChIKey: PYMYPHUHKUWMLA-MROZADKFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4S)-2,3,4,5-tetrahydroxypentanal
• IUPAC Traditional name: L-ribose
• Synonyms: (2S,3S,4S)-2,3,4,5-Tetrahydroxypentanal; L-(+)-RIBOSE; L-(+)-Ribose; L-(+)-核糖

Database IDs

• CAS Number: 24259-59-4
• EC Number: 246-110-4
• MDL Number: MFCD00167010
• PubChem SID: 162092592
• PubChem CID: 90428

CALCULATED PROPERTIES

• Acid pKa: 12.332793
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.9380257
• LogD (pH = 7.4): -2.9380307
• Log P: -2.9380257
• Molar Refractivity: 31.3831 cm^3
• Polarizability: 12.73608 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-88°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• TSCA Listed: 否

Product Information

• Purity: 97%; 98%; 99%

DETAILS

MP Biomedicals - 02191209

Crystalline
mp 82-83°C