Hydrogenobyrinic Acid
[CAS# 23599-55-5]

Identification

• Name: Hydrogenobyrinic Acid
• Molecular Formula: C₄₅H₆₀N₄O₁₄
• Molecular Weight: 880.99
• CAS Registry Number: 23599-55-5
• SMILES: C(C1(C2(N=C(C1CCC(O)=O)C(=C/5NC(=C\C4=NC(=C(C3=NC2C(C3(CCC(O)=O)C)CC(O)=O)/C)/C(C4(C)C)CCC(O)=O)/C(C5(CC(O)=O)C)CCC(O)=O)/C)C)C)C(O)=O
• InChI: 1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,46H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,39-22-
• InChIKey: FJDBIDBCPIOVPG-UTZCZJBQSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 1071.403°C at 760 mmHg (Cal.)
• Flash point: 601.763°C (Cal.)