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

• ChemBase ID: 2943
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O
• 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-/m0/s1
• InChIKey: SRBFZHDQGSBBOR-KLVWXMOXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5S)-oxane-2,3,4,5-tetrol
• IUPAC Traditional name: β-L-arabinopyranose
• Synonyms: Beta-L-Arabinose; L-(+)-Arabinose; L-(+)-阿拉伯糖

Database IDs

• CAS Number: 5328-37-0; 87-72-9
• EC Number: 201-767-6
• MDL Number: MFCD00067709
• Beilstein Number: 1723085
• Merck Index: 14761
• PubChem SID: 160966390
• PubChem CID: 439764

CALCULATED PROPERTIES

JChem

• 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

ALOGPS 2.1

• Log P: -2.57
• LOG S: 0.91
• Solubility (Water): 1.22e+03 g/l

PROPERTIES

Physical Property

• Melting Point: 155-160°C
• Optical Rotation: +104 (c=10 in water, 24h)

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99%

DETAILS

DrugBank - DB03246

Drug information: experimental