1-(beta-D-Glucopyranosyl)Amobarbital
[CAS# 69093-97-6]

Identification

• Name: 1-(beta-D-Glucopyranosyl)Amobarbital
• Synonyms: 5-Ethyl-5-Isopentyl-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Isopentyl-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Isoamyl-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Barbituric Acid
• Molecular Formula: C₁₇H₂₈N₂O₈
• Molecular Weight: 388.42
• CAS Registry Number: 69093-97-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)N2C(=O)C(C(=O)NC2=O)(CCC(C)C)CC
• InChI: 1S/C17H28N2O8/c1-4-17(6-5-8(2)3)14(24)18-16(26)19(15(17)25)13-12(23)11(22)10(21)9(7-20)27-13/h8-13,20-23H,4-7H2,1-3H3,(H,18,24,26)/t9-,10-,11+,12-,13-,17?/m1/s1
• InChIKey: PKKCVZFJXARZCB-PYDJHFNHSA-N

Properties

• Density: 1.352g/cm³ (Cal.)