4-Amino-1-[(2R,3S,4S,5R)-3-Hydroxy-5-(Hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxolan-2-Yl]Pyrimidin-2-One
[CAS# 155603-72-8]

Identification

• Name: 4-Amino-1-[(2R,3S,4S,5R)-3-Hydroxy-5-(Hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxolan-2-Yl]Pyrimidin-2-One
• Synonyms: 4-Amino-1-[(2R,3S,4S,5R)-3-Hydroxy-5-(Hydroxymethyl)-4-[(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,4S,5R)-3-Hydroxy-5-(Hydroxymethyl)-4-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydrofuranyl]-2-Pyrimidinone; 4-Amino-1-[(2R,3S,4S,5R)-3-Hydroxy-5-Methylol-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydrofuran-2-Yl]Pyrimidin-2-One
• Molecular Formula: C₁₅H₂₃N₃O₁₀
• Molecular Weight: 405.36
• CAS Registry Number: 155603-72-8
• SMILES: [C@H]3(N1C(N=C(C=C1)N)=O)[C@H]([C@H](O[C@H]2[C@@H]([C@@H](O)[C@H]([C@H](O2)CO)O)O)[C@H](O3)CO)O
• InChI: 1S/C15H23N3O10/c16-7-1-2-18(15(25)17-7)13-11(24)12(6(4-20)26-13)28-14-10(23)9(22)8(21)5(3-19)27-14/h1-2,5-6,8-14,19-24H,3-4H2,(H2,16,17,25)/t5-,6-,8+,9+,10-,11+,12-,13-,14+/m1/s1
• InChIKey: DHNKPBBSFXICPK-WUKGOCQWSA-N

Properties

• Density: 2.015g/cm³ (Cal.)
• Boiling point: 760.262°C at 760 mmHg (Cal.)
• Flash point: 413.592°C (Cal.)