[(2R,3S,4R,5R,6R)-5-Amino-4-Hydroxy-6-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)-2-(Sulfooxymethyl)Oxan-3-Yl] Hydrogen Sulfate
[CAS# 133906-27-1]

Identification

• Name: [(2R,3S,4R,5R,6R)-5-Amino-4-Hydroxy-6-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)-2-(Sulfooxymethyl)Oxan-3-Yl] Hydrogen Sulfate
• Synonyms: [(2R,3S,4R,5R,6R)-5-Amino-4-Hydroxy-6-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)-2-(Sulfooxymethyl)Tetrahydropyran-3-Yl] Hydrogen Sulfate; [(2R,3S,4R,5R,6R)-5-Amino-4-Hydroxy-6-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-(Sulfooxymethyl)-3-Tetrahydropyranyl] Hydrogen Sulfate; [(2R,3S,4R,5R,6R)-5-Amino-6-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-4-Hydroxy-2-(Sulfoxymethyl)Tetrahydropyran-3-Yl] Hydrogen Sulfate
• Molecular Formula: C₁₁H₁₇N₃O₁₂S₂
• Molecular Weight: 447.39
• CAS Registry Number: 133906-27-1
• SMILES: [C@@H]2(N1C=C(C(NC1=O)=O)C)O[C@@H]([C@@H](O[S](=O)(=O)O)[C@H](O)[C@H]2N)CO[S](=O)(=O)O
• InChI: 1S/C11H17N3O12S2/c1-4-2-14(11(17)13-9(4)16)10-6(12)7(15)8(26-28(21,22)23)5(25-10)3-24-27(18,19)20/h2,5-8,10,15H,3,12H2,1H3,(H,13,16,17)(H,18,19,20)(H,21,22,23)/t5-,6-,7-,8-,10-/m1/s1
• InChIKey: UZYIVVYUIHQPIP-VRRGKTLJSA-N

Properties

• Density: 1.942g/cm³ (Cal.)