Bilirubin Glucuronate
[CAS# 27071-67-6]

Identification

• Name: Bilirubin Glucuronate
• Synonyms: (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-Carboxyethyl)-4-Methyl-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-5-[(Z)-(4-Methyl-5-Oxo-3-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-Carboxyethyl)-4-Methyl-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolylidene)Methyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-5-[(Z)-(4-Methyl-5-Oxo-3-Vinyl-2-Pyrrolylidene)Methyl]-1H-Pyrrol-3-Yl]-1-Oxopropoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-Carboxyethyl)-5-[(Z)-(5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(Z)-(5-Keto-4-Methyl-3-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₃₉H₄₄N₄O₁₂
• Molecular Weight: 760.80
• CAS Registry Number: 27071-67-6
• SMILES: [C@@H]1(O)[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)OC(=O)CCC2=C([NH]C(=C2C)\C=C\3NC(=O)C(=C3C=C)C)CC4=C(C(=C([NH]4)\C=C\5NC(=O)C(=C5C)C=C)C)CCC(O)=O
• InChI: 1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13-,27-14-/t32-,33-,34+,35-,39+/m0/s1
• InChIKey: ARBDURHEPGRPSR-LCNKTQGVSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 1076.779°C at 760 mmHg (Cal.)
• Flash point: 605.014°C (Cal.)