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

• ChemBase ID: 153322
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: C1[C@@H]([C@H]([C@H](C(O1)O)O)O)O
• Canonical SMILES: O[C@H]1COC([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-AEQNFAKKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R,5S)-oxane-2,3,4,5-tetrol
• IUPAC Traditional name: L-lyxopyranose
• Synonyms: L-Lyxopyranose; L-(+)-Lyxose

Database IDs

• CAS Number: 1949-78-6
• EC Number: 217-763-2
• MDL Number: MFCD00064111
• Beilstein Number: 1723082
• PubChem SID: 162247461
• PubChem CID: 439508

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: 108-112 °C(lit.)

Safety Information

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

Product Information

• Empirical Formula (Hill Notation): C5H10O5