(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(5-Azido-2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 137528-00-8]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(5-Azido-2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(5-Azido-2,4-Dioxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(5-Azido-2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(5-Azido-2,4-Diketo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₅H₂₁N₅O₁₈P₂
• Molecular Weight: 621.30
• CAS Registry Number: 137528-00-8
• SMILES: [32P](O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)(O[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C(=C2)N=[N+]=[N-])[C@H](O)[C@@H]3O)(=O)O)(=O)O
• InChI: 1S/C15H21N5O18P2/c16-19-18-3-1-20(15(29)17-11(3)26)12-8(24)5(21)4(35-12)2-34-39(30,31)38-40(32,33)37-14-9(25)6(22)7(23)10(36-14)13(27)28/h1,4-10,12,14,21-25H,2H2,(H,27,28)(H,30,31)(H,32,33)(H,17,26,29)/t4-,5-,6+,7+,8-,9-,10+,12-,14-/m1/s1/i40+1
• InChIKey: ZNOHGZBJCYOZKN-NQZRZOHOSA-N