Mycophenolic Acid Glucuronide
[CAS# 31528-44-6]

Identification

• Classification: Analytical chemistry >> Standard >> Standard material
• Name: Mycophenolic Acid Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[5-[(E)-6-Hydroxy-3-Methyl-6-Oxo-Hex-2-Enyl]-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-4-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[5-[(E)-6-Hydroxy-3-Methyl-6-Oxohex-2-Enyl]-6-Methoxy-7-Methyl-3-Oxo-1H-Isobenzofuran-4-Yl]Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[5-[(E)-6-Hydroxy-6-Keto-3-Methyl-Hex-2-Enyl]-3-Keto-6-Methoxy-7-Methyl-1H-Isobenzofuran-4-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₃H₂₈O₁₂
• Molecular Weight: 496.47
• CAS Registry Number: 31528-44-6
• SMILES: [C@@H]3(OC1=C(C(=C(C2=C1C(OC2)=O)C)OC)C\C=C(\CCC(=O)O)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O
• InChI: 1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1
• InChIKey: BYFGTSAYQQIUCN-HGIHDBQLSA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 875.676°C at 760 mmHg (Cal.)
• Flash point: 299.659°C (Cal.)