5'-Diphosphoadenosine 2'-phosphate
[CAS# 4457-01-6]

Identification

• Name: 5'-Diphosphoadenosine 2'-phosphate
• Synonyms: [(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-4-Phosphonooxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-4-Phosphonooxy-Oxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₃P₃
• Molecular Weight: 507.18
• CAS Registry Number: 4457-01-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](=O)(O)O)CO[P](O[P](=O)(O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
• InChIKey: YPTPYQSAVGGMFN-KQYNXXCUSA-N

Properties

• Density: 2.636g/cm³ (Cal.)
• Boiling point: 994.293°C at 760 mmHg (Cal.)
• Flash point: 555.129°C (Cal.)