3-(3-Oxoprop-2-enyl)thymidine
[CAS# 90029-85-9]

Identification

• Name: 3-(3-Oxoprop-2-enyl)thymidine
• Synonyms: (E)-3-[3-[(2S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5-Methyl-2,6-Dioxo-Pyrimidin-1-Yl]Prop-2-Enal; (E)-3-[3-[(2S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-5-Methyl-2,6-Dioxo-1-Pyrimidinyl]Prop-2-Enal; (E)-3-[3-[(2S,4S,5R)-4-H
• Molecular Formula: C₁₃H₁₆N₂O₆
• Molecular Weight: 296.28
• CAS Registry Number: 90029-85-9
• SMILES: [C@@H]1(O[C@@H]([C@@H](O)C1)CO)N2C(=O)N(C(=O)C(=C2)C)\C=C\C=O
• InChI: 1S/C13H16N2O6/c1-8-6-15(11-5-9(18)10(7-17)21-11)13(20)14(12(8)19)3-2-4-16/h2-4,6,9-11,17-18H,5,7H2,1H3/b3-2+/t9-,10+,11-/m0/s1
• InChIKey: KZCPJWRRJRMRMW-OYSAUNLESA-N

Properties

• Density: 1.519g/cm³ (Cal.)
• Boiling point: 522.192°C at 760 mmHg (Cal.)
• Flash point: 269.612°C (Cal.)