5'-Oleoyl Cytarabine
[CAS# 101235-34-1]

Identification

• Name: 5'-Oleoyl Cytarabine
• Synonyms: [(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; (E)-Octadec-9-Enoic Acid [(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₂₇H₄₅N₃O₆
• Molecular Weight: 507.67
• CAS Registry Number: 101235-34-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)COC(=O)CCCCCCC\C=C\CCCCCCCC)N2C(=O)N=C(N)C=C2
• InChI: 1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1
• InChIKey: FLFGNMFWNBOBGE-FNNZEKJRSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 659.771°C at 760 mmHg (Cal.)
• Flash point: 352.817°C (Cal.)

References

• (1): Zhu Xiongpeng, Ma Yuehua, Liu Delong. Novel agents and regimens for acute myeloid leukemia: 2009 ASH annual meeting highlights., Journal of hematology & oncology, 2010