4-Amino-1-(2,3,5-O-Tribenzoyl-beta-D-Ribofuranosyl)-1,3,5-Triazin-2(1H)-One
[CAS# 28998-36-9]

Identification

• Name: 4-Amino-1-(2,3,5-O-Tribenzoyl-beta-D-Ribofuranosyl)-1,3,5-Triazin-2(1H)-One
• Synonyms: [5-(4-Amino-2-Oxo-1,3,5-Triazin-1-Yl)-4-(Benzoyloxy)-2-(Benzoyloxymethyl)Tetrahydrofuran-3-Yl] Benzoate; Benzoic Acid [5-(4-Amino-2-Oxo-1,3,5-Triazin-1-Yl)-4-(Oxo-Phenylmethoxy)-2-[(Oxo-Phenylmethoxy)Methyl]-3-Tetrahydrofuranyl] Ester; Benzoic Acid [5-(4-Amino-2-Keto-S-Triazin-1-Yl)-4-(Benzoyloxy)-2-(Benzoyloxymethyl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₉H₂₄N₄O₈
• Molecular Weight: 556.53
• CAS Registry Number: 28998-36-9
• SMILES: C5=C(C(OCC3C(OC(C1=CC=CC=C1)=O)C(OC(C2=CC=CC=C2)=O)C(O3)N4C=NC(=NC4=O)N)=O)C=CC=C5
• InChI: 1S/C29H24N4O8/c30-28-31-17-33(29(37)32-28)24-23(41-27(36)20-14-8-3-9-15-20)22(40-26(35)19-12-6-2-7-13-19)21(39-24)16-38-25(34)18-10-4-1-5-11-18/h1-15,17,21-24H,16H2,(H2,30,32,37)
• InChIKey: XMEBCSNOBVAIDQ-UHFFFAOYSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 709.911°C at 760 mmHg (Cal.)
• Flash point: 383.141°C (Cal.)