[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [6-[(4-Azido-2-Hydroxybenzoyl)Amino]Hexoxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 129992-33-2]

Identification

• Name: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [6-[(4-Azido-2-Hydroxybenzoyl)Amino]Hexoxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [6-[(4-Azido-2-Hydroxy-Benzoyl)Amino]Hexoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [6-[[(4-Azido-2-Hydroxyphenyl)-Oxomethyl]Amino]Hexoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [6-[(4-Azido-2-Hydroxy-Benzoyl)Amino]Hexoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₃H₃₁N₉O₁₃P₂
• Molecular Weight: 703.50
• CAS Registry Number: 129992-33-2
• SMILES: [N+](=NC4=CC(=C(C(=O)NCCCCCCO[P](O[P](OC[C@H]3O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)[C@H](O)[C@@H]3O)(O)=O)(O)=O)C=C4)O)=[N-]
• InChI: 1S/C23H31N9O13P2/c24-23-28-19-16(21(37)29-23)27-11-32(19)22-18(35)17(34)15(44-22)10-43-47(40,41)45-46(38,39)42-8-4-2-1-3-7-26-20(36)13-6-5-12(30-31-25)9-14(13)33/h5-6,9,11,15,17-18,22,33-35H,1-4,7-8,10H2,(H,26,36)(H,38,39)(H,40,41)(H3,24,28,29,37)/t15-,17-,18-,22-/m1/s1
• InChIKey: VIWRRYSBYBSLPL-UVLLPENVSA-N