3'-Azido-3'-Deoxy-5'-O-beta-Glucopyranuronosylthymidine
[CAS# 117675-21-5]

Identification

• Name: 3'-Azido-3'-Deoxy-5'-O-beta-Glucopyranuronosylthymidine
• Synonyms: (2S,3S,4S,5R)-6-[[(2S)-3-Azido-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[[(2S)-3-Azido-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-6-[[(2S)-3-Azido-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₁N₅O₁₀
• Molecular Weight: 443.37
• CAS Registry Number: 117675-21-5
• SMILES: N3(C1O[C@@H](C(N=[N+]=[N-])C1)COC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C(=O)NC(=O)C(=C3)C
• InChI: 1S/C16H21N5O10/c1-5-3-21(16(28)18-13(5)25)8-2-6(19-20-17)7(30-8)4-29-15-11(24)9(22)10(23)12(31-15)14(26)27/h3,6-12,15,22-24H,2,4H2,1H3,(H,26,27)(H,18,25,28)/t6?,7-,8?,9+,10+,11-,12+,15?/m1/s1
• InChIKey: NFXAJWJJNLWLOV-OTQDERTISA-N