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

• ChemBase ID: 302167
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O
• Canonical SMILES: O[C@H]1CO[C@H](C([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-AYXYYLOCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4S,5S)-oxane-2,3,4,5-tetrol
• IUPAC Traditional name: (2R,4S,5S)-oxane-2,3,4,5-tetrol
• Synonyms: DL-Arabinose; DL-树胶醛糖

Database IDs

• CAS Number: 147-81-9
• EC Number: 205-699-8
• MDL Number: MFCD00135867
• Beilstein Number: 1723086
• Merck Index: 14761

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: 158-160°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98+%