(2R,3S,4R,5R)-oxane-2,3,4,5-tetrol

• ChemBase ID: 138310
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
• Canonical SMILES: O[C@@H]1CO[C@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-SQOUGZDYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R,5R)-oxane-2,3,4,5-tetrol
• IUPAC Traditional name: β-D-arabinopyranose
• Synonyms: Methyl β-D-arabinopyranoside; (2R,3S,4R,5R)-oxane-2,3,4,5-tetrol; 甲基 β-D-吡喃阿拉伯糖苷

Database IDs

• CAS Number: 5328-63-2
• EC Number: 226-215-1
• MDL Number: MFCD00067708
• PubChem SID: 162232566
• PubChem CID: 444173

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

• Hydrophobicity(logP): -2.181

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 99%
• Empirical Formula (Hill Notation): C6H12O5