Thymidine 3'-Benzoate
[CAS# 17331-53-2]

Identification

• Name: Thymidine 3'-Benzoate
• Synonyms: [(3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] Benzoate; Benzoic Acid [(3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] Ester; Benzoic Acid [(3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-2-Methylol-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₇H₁₈N₂O₆
• Molecular Weight: 346.34
• CAS Registry Number: 17331-53-2
• EINECS: 241-352-7
• SMILES: [C@H]2(OC([C@@H](OC(=O)C1=CC=CC=C1)C2)CO)N3C(=O)NC(=O)C(=C3)C
• InChI: 1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13?,14+/m0/s1
• InChIKey: CZRPYTUJUAJMJJ-SMEJFCCLSA-N

Properties

• Density: 1.429g/cm³ (Cal.)