[(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-(Phosphonooxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
[CAS# 3805-37-6]

Identification

• Name: [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-(Phosphonooxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3R,4R,5R)-2-(6-Amino-9-Purinyl)-4-Hydroxy-5-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; Adenosine 2',5'-Bisphosphate
• Molecular Formula: C₁₀H₁₅N₅O₁₀P₂
• Molecular Weight: 427.20
• CAS Registry Number: 3805-37-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](=O)(O)O)CO[P](=O)(O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
• InChIKey: AEOBEOJCBAYXBA-KQYNXXCUSA-N

Properties

• Density: 2.498g/cm³ (Cal.)
• Boiling point: 924.27°C at 760 mmHg (Cal.)
• Flash point: 512.78°C (Cal.)