3'-Azido-3'-deoxythymidilyl-(5',5')-2',3'-dideoxy-5'-inosinic acid
[CAS# 121135-53-3]

Identification

• Name: 3'-Azido-3'-deoxythymidilyl-(5',5')-2',3'-dideoxy-5'-inosinic acid
• Synonyms: [(2S,3S,5R)-3-Azido-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl [(2S,5R)-5-(6-Oxo-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2S,3S,5R)-3-Azido-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl [(2S,5R)-5-(6-Oxo-3H-Purin-9-Yl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2S,3S,5R)-3-Azido-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl [(2S,5R)-5-(6-Keto-3H-Purin-9-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₄N₉O₉P
• Molecular Weight: 565.44
• CAS Registry Number: 121135-53-3
• SMILES: [N+](=N[C@@H]2[C@H](O[C@@H](N1C=C(C(=O)NC1=O)C)C2)CO[P](OC[C@H]5O[C@@H]([N]3C4=C(N=C3)C(=O)N=CN4)CC5)(O)=O)=[N-]
• InChI: 1S/C20H24N9O9P/c1-10-5-28(20(32)25-18(10)30)15-4-12(26-27-21)13(38-15)7-36-39(33,34)35-6-11-2-3-14(37-11)29-9-24-16-17(29)22-8-23-19(16)31/h5,8-9,11-15H,2-4,6-7H2,1H3,(H,33,34)(H,22,23,31)(H,25,30,32)/t11-,12-,13+,14+,15+/m0/s1
• InChIKey: XURFYCWNUGWGDL-VQJWOFKYSA-N