oxane-2,3,4,5-tetrol

• ChemBase ID: 91854
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: O1C(C(C(C(C1)O)O)O)O
• Canonical SMILES: OC1COC(C(C1O)O)O
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
• InChIKey: SRBFZHDQGSBBOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxane-2,3,4,5-tetrol
• IUPAC Traditional name: β-L-arabinose
• Synonyms: D-Xylose

Database IDs

• CAS Number: 58-86-6
• MDL Number: MFCD00064360
• PubChem SID: 162078552
• PubChem CID: 229

CALCULATED PROPERTIES

• Acid pKa: 11.310624
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.3022048
• LogD (pH = 7.4): -2.3022575
• Log P: -2.3022044
• Molar Refractivity: 29.9609 cm^3
• Polarizability: 12.6405 Å^3
• Polar Surface Area: 90.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156-158°C

Safety Information

• Storage Warning: Irritant