4-Amino-1-[(2R,3S,4R,5R)-5-(Hydroxymethyl)-3,4-Bis[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxolan-2-Yl]Pyrimidin-2-One
[CAS# 155603-73-9]

Identification

• Name: 4-Amino-1-[(2R,3S,4R,5R)-5-(Hydroxymethyl)-3,4-Bis[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxolan-2-Yl]Pyrimidin-2-One
• Synonyms: 4-Amino-1-[(2R,3S,4R,5R)-5-(Hydroxymethyl)-3,4-Bis[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Tetrahydrofuran-2-Yl]Pyrimidin-2-One; 4-Amino-1-[(2R,3S,4R,5R)-5-(Hydroxymethyl)-3,4-Bis[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydrofuranyl]-2-Pyrimidinone; 4-Amino-1-[(2R,3S,4R,5R)-5-Methylol-3,4-Bis[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydrofuran-2-Yl]Pyrimidin-2-One
• Molecular Formula: C₂₁H₃₃N₃O₁₅
• Molecular Weight: 567.50
• CAS Registry Number: 155603-73-9
• SMILES: [C@@H]2(N1C(N=C(C=C1)N)=O)O[C@@H]([C@H]([C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H](O3)CO)O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@H](O4)CO)CO
• InChI: 1S/C21H33N3O15/c22-9-1-2-24(21(34)23-9)18-17(39-20-15(33)13(31)11(29)7(4-26)37-20)16(8(5-27)35-18)38-19-14(32)12(30)10(28)6(3-25)36-19/h1-2,6-8,10-20,25-33H,3-5H2,(H2,22,23,34)/t6-,7-,8-,10+,11+,12+,13+,14-,15-,16-,17+,18-,19+,20+/m1/s1
• InChIKey: ORAXAMWDQSXBKN-DVBHINJSSA-N

Properties

• Density: 2.075g/cm³ (Cal.)
• Boiling point: 910.067°C at 760 mmHg (Cal.)
• Flash point: 504.19°C (Cal.)