[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(N'-(3-Dimethylaminopropyl)-N-Ethylcarbamimidoyl)Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 130096-08-1]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(N'-(3-Dimethylaminopropyl)-N-Ethylcarbamimidoyl)Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(N'-(3-Dimethylaminopropyl)-N-Ethyl-Carbamimidoyl)Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(3-Dimethylaminopropylimino-Ethylaminomethoxy)-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [[(N'-(3-Dimethylaminopropyl)-N-Ethyl-Carbamimidoyl)Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₈H₃₃N₈O₁₃P₃
• Molecular Weight: 662.43
• CAS Registry Number: 130096-08-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](OC(=NCCCN(C)C)NCC)(=O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C18H33N8O13P3/c1-4-20-18(21-6-5-7-25(2)3)37-41(31,32)39-42(33,34)38-40(29,30)35-8-11-13(27)14(28)17(36-11)26-10-24-12-15(19)22-9-23-16(12)26/h9-11,13-14,17,27-28H,4-8H2,1-3H3,(H,20,21)(H,29,30)(H,31,32)(H,33,34)(H2,19,22,23)/t11-,13-,14-,17-/m1/s1
• InChIKey: UWOKEAHPLLDQSQ-LSCFUAHRSA-N

Properties

• Density: 1.907g/cm³ (Cal.)
• Boiling point: 892.353°C at 760 mmHg (Cal.)
• Flash point: 493.477°C (Cal.)