1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-5-Methyl-3-(Phenylmethyl)Pyrido[3,2-e]Pyrimidine-2,4-Dione
[CAS# 137103-31-2]

Identification

• Name: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-5-Methyl-3-(Phenylmethyl)Pyrido[3,2-e]Pyrimidine-2,4-Dione
• Synonyms: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5-Methyl-3-(Phenylmethyl)Pyrido[3,2-E]Pyrimidine-2,4-Dione; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-5-Methyl-3-(Phenylmethyl)Pyrido[3,2-E]Pyrimidine-2,4-Dione; 3-(Benzyl)-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-5-Methyl-Pyrido[3,2-E]Pyrimidine-2,4-Quinone
• Molecular Formula: C₂₀H₂₁N₃O₆
• Molecular Weight: 399.40
• CAS Registry Number: 137103-31-2
• SMILES: [C@H]4(N1C(N(C(C2=C(C=CN=C12)C)=O)CC3=CC=CC=C3)=O)[C@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C20H21N3O6/c1-11-7-8-21-17-14(11)18(27)22(9-12-5-3-2-4-6-12)20(28)23(17)19-16(26)15(25)13(10-24)29-19/h2-8,13,15-16,19,24-26H,9-10H2,1H3/t13-,15-,16-,19-/m1/s1
• InChIKey: QEXOXVQSTPLAMK-NVQRDWNXSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 700.271°C at 760 mmHg (Cal.)
• Flash point: 377.311°C (Cal.)