(4R,5S)-6-(hydroxymethyl)(2-14C)oxane-2,4,5-triol

• ChemBase ID: 165960
• Molecular Formular: C6H12O5
• Molecular Mass: 166.14902199
• Monoisotopic Mass: 166.07171547
• SMILES: [C@@H]1([C@@H](C[14CH](OC1CO)O)O)O
• Canonical SMILES: OCC1O[14CH](O)C[C@H]([C@@H]1O)O
• InChI: InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4?,5?,6+/m1/s1/i5+2
• InChIKey: PMMURAAUARKVCB-NMZLTLNISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R,5S)-6-(hydroxymethyl)(2-^1^4C)oxane-2,4,5-triol
• IUPAC Traditional name: (4R,5S)-6-(hydroxymethyl)(2-^1^4C)oxane-2,4,5-triol
• Synonyms: 2-Deoxy-D-arabino-hexose-14C(U); 2-Deoxy-D-glucose-14C(U)

Database IDs

• CAS Number: 72561-26-3
• PubChem SID: 162260093
• PubChem CID: 45038824

CALCULATED PROPERTIES

• Acid pKa: 12.294304
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.0319011
• LogD (pH = 7.4): -2.0319066
• Log P: -2.0319011
• Molar Refractivity: 34.4127 cm^3
• Polarizability: 14.43744 Å^3
• Polar Surface Area: 90.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White Crystalline Solid
• Melting Point: 152-154°C

DETAILS

Toronto Research Chemicals - D239030

Spectific activity 300-360mCi/mm