1,3-Bis[[(2R,3S,4R,5R)-2,4,5,6-Tetrahydroxy-1-Oxohexan-3-Yl]Oxy]Propan-2-Yl 4-(Benzoyl)Benzoate
[CAS# 148832-07-9]

Identification

• Name: 1,3-Bis[[(2R,3S,4R,5R)-2,4,5,6-Tetrahydroxy-1-Oxohexan-3-Yl]Oxy]Propan-2-Yl 4-(Benzoyl)Benzoate
• Synonyms: [2-[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Oxo-Ethyl]Butoxy]-1-[[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Oxo-Ethyl]Butoxy]Methyl]Ethyl] 4-(Benzoyl)Benzoate; 4-(Oxo-Phenylmethyl)Benzoic Acid [2-[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Oxoethyl]Butoxy]-1-[[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Oxoethyl]Butoxy]Methyl]Ethyl] Ester; 4-(Benzoyl)Benzoic Acid [2-[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Keto-Ethyl]Butoxy]-1-[[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Keto-Ethyl]Butoxy]Methyl]Ethyl] Ester
• Molecular Formula: C₂₉H₃₆O₁₅
• Molecular Weight: 624.59
• CAS Registry Number: 148832-07-9
• SMILES: [C@@H](C=O)(O)[C@@H](OCC(CO[C@H]([C@H](C=O)O)[C@H](O)[C@H](O)CO)OC(C1=CC=C(C=C1)C(C2=CC=CC=C2)=O)=O)[C@H](O)[C@H](O)CO
• InChI: 1S/C29H36O15/c30-10-20(34)25(39)27(22(36)12-32)42-14-19(15-43-28(23(37)13-33)26(40)21(35)11-31)44-29(41)18-8-6-17(7-9-18)24(38)16-4-2-1-3-5-16/h1-9,12-13,19-23,25-28,30-31,34-37,39-40H,10-11,14-15H2/t20-,21-,22+,23+,25-,26-,27-,28-/m1/s1
• InChIKey: KKWJEBGSYUNAIH-HPLLXZBVSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 930.298°C at 760 mmHg (Cal.)
• Flash point: 299.628°C (Cal.)