2,3-Dihydro-2-(N(7)-Guanyl)-3-Hydroxyaflatoxin B1
[CAS# 63425-04-7]

Identification

• Name: 2,3-Dihydro-2-(N(7)-Guanyl)-3-Hydroxyaflatoxin B1
• Synonyms: Afb-N(7)-Gua; Aflatoxin B1-Guanine; Cyclopenta(C)Furo(3',2':4,5)Furo(2,3-H)(1)Benzopyran-1,11-Dione, 8-(2-Amino-1,6-Dihydro-6-Oxo-7H-Purin-7-Yl)-2,3,6A,8,9,9A-Hexahydro-9-Hydroxy-4-Methoxy-, (6As,8R,9R,9Ar)-
• Molecular Formula: C₂₂H₁₇N₅O₈
• Molecular Weight: 479.41
• CAS Registry Number: 63425-04-7
• SMILES: [N]6(C2O[C@@H]1OC3=C([C@@H]1[C@H]2O)C4=C(C(=C3)OC)C5=C(C(O4)=O)C(=O)CC5)C7=C(N=C6)NC(=NC7=O)N
• InChI: 1S/C22H17N5O8/c1-32-8-4-9-12(16-11(8)6-2-3-7(28)10(6)20(31)34-16)13-15(29)19(35-21(13)33-9)27-5-24-17-14(27)18(30)26-22(23)25-17/h4-5,13,15,19,21,29H,2-3H2,1H3,(H3,23,25,26,30)/t13-,15-,19?,21+/m1/s1
• InChIKey: XIOUDSNTNJNQQG-MHKTTXRSSA-N

Properties

• Density: 2.154g/cm³ (Cal.)
• Boiling point: 893.809°C at 760 mmHg (Cal.)
• Flash point: 494.358°C (Cal.)