1-(2,3,4,6-Tetraacetyl-beta-D-Glucopyranosyl)Phenobarbital
[CAS# 72209-11-1]

Identification

• Name: 1-(2,3,4,6-Tetraacetyl-beta-D-Glucopyranosyl)Phenobarbital
• Synonyms: [(2R,3R,4S,5R,6R)-4,5-Diacetoxy-6-(Acetoxymethyl)-2-(5-Ethyl-2,4,6-Trioxo-5-Phenyl-Hexahydropyrimidin-1-Yl)Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2R,3R,4S,5R,6R)-4,5-Diacetoxy-6-(Acetoxymethyl)-2-(5-Ethyl-2,4,6-Trioxo-5-Phenyl-1-Hexahydropyrimidinyl)-3-Tetrahydropyranyl] Ester; Acetic Acid [(2R,3R,4S,5R,6R)-4,5-Diacetoxy-6-(Acetoxymethyl)-2-(5-Ethyl-2,4,6-Triketo-5-Phenyl-Hexahydropyrimidin-1-Yl)Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₆H₃₀N₂O₁₂
• Molecular Weight: 562.53
• CAS Registry Number: 72209-11-1
• SMILES: [C@H]1(O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)N2C(=O)C(C(=O)NC2=O)(C3=CC=CC=C3)CC
• InChI: 1S/C26H30N2O12/c1-6-26(17-10-8-7-9-11-17)23(33)27-25(35)28(24(26)34)22-21(39-16(5)32)20(38-15(4)31)19(37-14(3)30)18(40-22)12-36-13(2)29/h7-11,18-22H,6,12H2,1-5H3,(H,27,33,35)/t18-,19-,20+,21-,22-,26?/m1/s1
• InChIKey: JOHOCAZCFNMEFA-KWVHEEFFSA-N

Properties

• Density: 1.393g/cm³ (Cal.)