[(2R,3R,4R,5R,6R)-3-Acetamido-4-Hydroxy-6-(Hydroxymethyl)-5-Sulfooxyoxan-2-Yl] [[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 3863-56-7]

Identification

• Name: [(2R,3R,4R,5R,6R)-3-Acetamido-4-Hydroxy-6-(Hydroxymethyl)-5-Sulfooxyoxan-2-Yl] [[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3R,4R,5R,6R)-3-Acetamido-4-Hydroxy-6-(Hydroxymethyl)-5-Sulfooxy-Tetrahydropyran-2-Yl] [[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3R,4R,5R,6R)-3-Acetamido-4-Hydroxy-6-(Hydroxymethyl)-5-Sulfooxy-2-Tetrahydropyranyl] [[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3R,4R,5R,6R)-3-Acetamido-4-Hydroxy-6-Methylol-5-Sulfoxy-Tetrahydropyran-2-Yl] [[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₇H₂₇N₃O₂₀P₂S
• Molecular Weight: 687.42
• CAS Registry Number: 3863-56-7
• SMILES: [C@H]1(NC(=O)C)[C@H](O[C@@H]([C@H](O[S](=O)(=O)O)[C@@H]1O)CO)O[P](O[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]3O)(=O)O)(=O)O
• InChI: 1S/C17H27N3O20P2S/c1-6(22)18-10-12(25)14(39-43(32,33)34)7(4-21)37-16(10)38-42(30,31)40-41(28,29)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,28,29)(H,30,31)(H,19,23,27)(H,32,33,34)/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1
• InChIKey: ITVFJXYJMFKBES-ACMLXWNCSA-N

Properties

• Density: 1.964g/cm³ (Cal.)