(2S,4S,5R)-oxane-2,4,5-triol

• ChemBase ID: 107198
• Molecular Formular: C5H10O4
• Molecular Mass: 134.1305
• Monoisotopic Mass: 134.0579088
• SMILES: O[C@@H]1C[C@H](O)[C@H](O)CO1
• Canonical SMILES: O[C@H]1OC[C@H]([C@H](C1)O)O
• InChI: InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5-/m0/s1
• InChIKey: ZVQAVWAHRUNNPG-LMVFSUKVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4S,5R)-oxane-2,4,5-triol
• IUPAC Traditional name: 2-deoxyribose; D-2-deoxyribose
• Synonyms: D-2-DESOXYRIBOSE; 2-Deoxy-D-Ribose

Database IDs

• CAS Number: 533-67-5
• MDL Number: MFCD00135904
• PubChem SID: 162093189
• PubChem CID: 441475

CALCULATED PROPERTIES

• Acid pKa: 12.33661
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4015663
• LogD (pH = 7.4): -1.4015713
• Log P: -1.4015663
• Molar Refractivity: 28.4502 cm^3
• Polarizability: 11.923472 Å^3
• Polar Surface Area: 69.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05202895

MP Biomedicals Rare Chemical collection