Enocitabine
[CAS# 93974-11-9]

Identification

• Name: Enocitabine
• Synonyms: N-[1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2-Oxo-Pyrimidin-4-Yl]Docosanamide; N-[1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-Oxo-4-Pyrimidinyl]Docosanamide; N-[1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-Methyl
• Molecular Formula: C₃₁H₅₅N₃O₆
• Molecular Weight: 565.79
• CAS Registry Number: 93974-11-9
• SMILES: [C@@H]2(N1C(N=C(NC(CCCCCCCCCCCCCCCCCCCCC)=O)C=C1)=O)O[C@H](CO)[C@H]([C@@H]2O)O
• InChI: 1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1
• InChIKey: SAMRUMKYXPVKPA-VFKOLLTISA-N

Properties

• Density: 1.164g/cm³ (Cal.)