6-Deoxyglucitol
[CAS# 5624-40-8]

Identification

• Name: 6-Deoxyglucitol
• Synonyms: 4-[(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-(4-Hydroxy-3,5-Dimethoxy-Phenyl)Methyl]-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One; 4-[(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)-(4-Hydroxy-3,5-Dimethoxyphenyl)Methyl]-1,5-Dimethyl-2-Phenyl-3-Pyrazolone; 4-[(4-Hydroxy-3,5-Dimethoxy-Phenyl)-(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)Methyl]-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One
• Molecular Formula: C₃₁H₃₂N₄O₅
• Molecular Weight: 540.62
• CAS Registry Number: 5624-40-8
• SMILES: C5=C(C(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C=C(OC)C(=C5OC)O
• InChI: 1S/C31H32N4O5/c1-19-26(30(37)34(32(19)3)22-13-9-7-10-14-22)28(21-17-24(39-5)29(36)25(18-21)40-6)27-20(2)33(4)35(31(27)38)23-15-11-8-12-16-23/h7-18,28,36H,1-6H3
• InChIKey: RQJPCWVIFGNASM-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 675.592°C at 760 mmHg (Cal.)
• Flash point: 362.385°C (Cal.)