[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Methoxymethyl)Oxolan-3-Yl] Phosphono Hydrogen Phosphate
[CAS# 148253-84-3]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Methoxymethyl)Oxolan-3-Yl] Phosphono Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Methoxymethyl)Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Methoxymethyl)-3-Tetrahydrofuranyl] Phosphono Hydrogen Phosphate; 3'-C-Methyladenosine Diphosphate
• Molecular Formula: C₁₁H₁₇N₅O₁₀P₂
• Molecular Weight: 441.23
• CAS Registry Number: 148253-84-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](O[P](=O)(O)O)(=O)O)[C@H]1O)COC)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H17N5O10P2/c1-23-2-5-8(25-28(21,22)26-27(18,19)20)7(17)11(24-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
• InChIKey: DXBLUALDQQDGLM-IOSLPCCCSA-N

Properties

• Density: 2.258g/cm³ (Cal.)
• Boiling point: 833.95°C at 760 mmHg (Cal.)
• Flash point: 458.157°C (Cal.)