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

• ChemBase ID: 3548
• 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-QMKXCQHVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S)-oxane-2,3,4,5-tetrol
• IUPAC Traditional name: β-L-arabinose
• Synonyms: L-Xylose (Cyclic Form)

Database IDs

• PubChem SID: 162103345
• PubChem CID: 439731

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

DETAILS

DrugBank - DB03911

Drug information: experimental