3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Pyrimido[1,2-a]Purin-10-One
[CAS# 78880-62-3]

Identification

• Name: 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Pyrimido[1,2-a]Purin-10-One
• Synonyms: 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrimido[1,2-A]Purin-10-One; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-10-Pyrimido[1,2-A]Purinone; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Pyrimido[1,2-A]Purin-10-One
• Molecular Formula: C₁₃H₁₃N₅O₅
• Molecular Weight: 319.28
• CAS Registry Number: 78880-62-3
• SMILES: [C@H]4([N]1C=NC2=C1N=C3N(C2=O)C=CC=N3)[C@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C13H13N5O5/c19-4-6-8(20)9(21)12(23-6)18-5-15-7-10(18)16-13-14-2-1-3-17(13)11(7)22/h1-3,5-6,8-9,12,19-21H,4H2/t6-,8-,9-,12-/m1/s1
• InChIKey: RDEWUXRNVMVRBR-WOUKDFQISA-N

Properties

• Density: 2.006g/cm³ (Cal.)
• Boiling point: 764.406°C at 760 mmHg (Cal.)
• Flash point: 416.098°C (Cal.)