(2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-Dioxopyrimidin-1-Yl)-3,6,7-Trihydroxy-3,3a,5,6,7,7a-Hexahydro-2H-Furo[5,4-e]Pyran-5-Carboxylic Acid
[CAS# 140447-96-7]

Identification

• Name: (2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-Dioxopyrimidin-1-Yl)-3,6,7-Trihydroxy-3,3a,5,6,7,7a-Hexahydro-2H-Furo[5,4-e]Pyran-5-Carboxylic Acid
• Synonyms: (2R,3R,3As,5S,6S,7R,7Ar)-2-(2,4-Dioxo-1-Pyrimidinyl)-3,6,7-Trihydroxy-3,3A,5,6,7,7A-Hexahydro-2H-Furo[5,4-E]Pyran-5-Carboxylic Acid; (2R,3R,3As,5S,6S,7R,7Ar)-2-(2,4-Diketopyrimidin-1-Yl)-3,6,7-Trihydroxy-3,3A,5,6,7,7A-Hexahydro-2H-Furo[5,4-E]Pyran-5-Carboxylic Acid; Nikkomycin So(Z)
• Molecular Formula: C₁₂H₁₄N₂O₉
• Molecular Weight: 330.25
• CAS Registry Number: 140447-96-7
• SMILES: [C@H]1([C@H](O[C@@H]2[C@@H]([C@@H]1O)O[C@H]([C@@H]2O)N3C(NC(C=C3)=O)=O)C(O)=O)O
• InChI: 1S/C12H14N2O9/c15-3-1-2-14(12(21)13-3)10-6(18)8-7(23-10)4(16)5(17)9(22-8)11(19)20/h1-2,4-10,16-18H,(H,19,20)(H,13,15,21)/t4-,5+,6-,7-,8+,9+,10-/m1/s1
• InChIKey: AASHGHDGOQHZOR-ZVMZQBCWSA-N

Properties

• Density: 1.84g/cm³ (Cal.)