3'-O-(4-Benzoylbenzoyl)adenosine 5'-(trihydrogen diphosphate)
[CAS# 87550-03-6]

Identification

• Name: 3'-O-(4-Benzoylbenzoyl)adenosine 5'-(trihydrogen diphosphate)
• Synonyms: 3'-O-(4-Benzoyl)benzoyladenosine diphosphate; 3'-O-(4-Benzoyl)benzoyl-ADP; Adenosine 5'-(trihydrogen diphsophate), 3'-(4-benzoylbenzoate)
• Molecular Formula: C₂₄H₂₃N₅O₁₂P₂
• Molecular Weight: 635.41
• CAS Registry Number: 87550-03-6
• SMILES: O=C(c1ccccc1)c2ccc(cc2)C(=O)O[C@@H]5[C@H](O[C@@H](n4cnc3c(ncnc34)N)[C@@H]5O)COP(=O)(O)OP(=O)(O)O
• InChI: 1S/C24H23N5O12P2/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(39-23)10-38-43(36,37)41-42(33,34)35)40-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1
• InChIKey: RICNGWAMNNTGCG-UGTJMOTHSA-N

Properties

• Density: 1.857g/cm³ (Cal.)
• Boiling point: 971.073°C at 760 mmHg (Cal.)
• Flash point: 541.085°C (Cal.)