Linear-Benzoadenosine Diphosphate
[CAS# 61925-59-5]

Identification

• Name: Linear-Benzoadenosine Diphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(8-Aminoimidazo[4,5-G]Quinazolin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(8-Amino-3-Imidazo[4,5-G]Quinazolinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(8-Aminoimidazo[4,5-G]Quinazolin-3-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₄H₁₇N₅O₁₀P₂
• Molecular Weight: 477.26
• CAS Registry Number: 61925-59-5
• SMILES: [C@@H]4([N]3C2=C(C=C1C(=NC=NC1=C2)N)N=C3)O[C@@H]([C@H]([C@H]4O)O)CO[P](O[P](O)(O)=O)(O)=O
• InChI: 1S/C14H17N5O10P2/c15-13-6-1-8-9(2-7(6)16-4-17-13)19(5-18-8)14-12(21)11(20)10(28-14)3-27-31(25,26)29-30(22,23)24/h1-2,4-5,10-12,14,20-21H,3H2,(H,25,26)(H2,15,16,17)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1
• InChIKey: QMGBJUQQYZORLL-HKUMRIAESA-N

Properties

• Density: 2.308g/cm³ (Cal.)
• Boiling point: 924.797°C at 760 mmHg (Cal.)
• Flash point: 513.099°C (Cal.)