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

• ChemBase ID: 102579
• 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-UOWFLXDJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal
• IUPAC Traditional name: D-lyxose
• Synonyms: D-Lyxopyranose; D-LYXOSE; (2S,3S,4R)-2,3,4,5-Tetrahydroxypentanal

Database IDs

• CAS Number: 1114-34-7
• EC Number: 214-212-8
• MDL Number: MFCD00064362
• PubChem SID: 162088702
• PubChem CID: 65550

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: 108-112°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 02102226

Crystalline
Mixture of anomers