3-Isoadenosine 5'-Phosphate
[CAS# 2862-19-3]

Identification

• Name: 3-Isoadenosine 5'-Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-3-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-3-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₄N₅O₇P
• Molecular Weight: 347.22
• CAS Registry Number: 2862-19-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)O)[N]3C2=NC=NC2=C(N=C3)N
• InChI: 1S/C10H14N5O7P/c11-8-5-9(13-2-12-5)15(3-14-8)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1,11H2,(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: YXKYJBZIZFOEPY-KQYNXXCUSA-N

Properties

• Density: 2.32g/cm³ (Cal.)
• Boiling point: 658.946°C at 760 mmHg (Cal.)
• Flash point: 352.318°C (Cal.)