[(2R,3S,4R,5R)-5-[2-Amino-6-Oxo-8-[(4-Phenylphenyl)Amino]-3H-Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 78281-08-0]

Identification

• Name: [(2R,3S,4R,5R)-5-[2-Amino-6-Oxo-8-[(4-Phenylphenyl)Amino]-3H-Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[2-Amino-6-Oxo-8-[(4-Phenylphenyl)Amino]-3H-Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[2-Amino-6-Oxo-8-[(4-Phenylphenyl)Amino]-3H-Purin-9-Yl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[2-Amino-6-Keto-8-[(4-Phenylphenyl)Amino]-3H-Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₂₂H₂₃N₆O₈P
• Molecular Weight: 530.43
• CAS Registry Number: 78281-08-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O)(O)=O)[N]2C5=C(N=C2NC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N=C(N5)N
• InChI: 1S/C22H23N6O8P/c23-21-26-18-15(19(31)27-21)25-22(24-13-8-6-12(7-9-13)11-4-2-1-3-5-11)28(18)20-17(30)16(29)14(36-20)10-35-37(32,33)34/h1-9,14,16-17,20,29-30H,10H2,(H,24,25)(H2,32,33,34)(H3,23,26,27,31)/t14-,16-,17-,20-/m1/s1
• InChIKey: DTDFFHBJBOJGJW-WVSUBDOOSA-N

Properties

• Density: 1.847g/cm³ (Cal.)
• Boiling point: 923.492°C at 760 mmHg (Cal.)
• Flash point: 512.309°C (Cal.)