Cas no 31088-06-9 (2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxohexadecyl)-b-D-arabinofuranosyl]-)

2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxohexadecyl)-b-D-arabinofuranosyl]- structure
31088-06-9 structure
Product Name:2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxohexadecyl)-b-D-arabinofuranosyl]-
CAS No:31088-06-9
MF:C25H43N3O6
MW:481.625427484512
CID:308284
PubChem ID:35731
Update Time:2025-04-19

2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxohexadecyl)-b-D-arabinofuranosyl]- Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxohexadecyl)-b-D-arabinofuranosyl]-
    • 1-.β.-D-Arabinofuranosylcytosine 5'-palmitoyl ester
    • 5'-O-palmitoylarabinofuranosylcytosine
    • 5-O'-palmityl ara cytidine
    • 5'-O-palmityl ara-cytidine
    • 5'-O-Palmityl-ara-cytidin
    • 5'-Palmitoyl Ara-C
    • 5'-palmitoyl cytarabine
    • 5'-Palmitoyl-aracytidin
    • P-Ara-C
    • 1-beta-D-Arabinofuranosylcytosine 5'-palmitoyl ester
    • 1-.beta.-D-Arabinofuranosylcytosine 5'-palmitoyl ester
    • NSC-135962
    • SCHEMBL11858671
    • Palm O-ara-C
    • CHEMBL3273205
    • 2(1H)-Pyrimidinone, {4-amino-1-[5-O-(1-oxohexadecyl)-.beta.-D-arabinofuranosyl]-}
    • 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
    • UNII-TFX122G3KD
    • SHBAKEKBTCPUFI-OUJCMCIWSA-N
    • Arabinosyl cytosine palmitate
    • Cytosine, 1-beta-D-arabinofuranosyl-, 5'-palmitate
    • 31088-06-9
    • Palmo-Ara-C
    • Palmitic acid, 5'-ester with 1-beta-D-arabinofuranosylcytosine
    • 1-(5'-O-palmitoyl-beta-D-arabinofuranosyl)cytosine
    • NSC 135962
    • [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hexadecanoate
    • 1-beta-D-Arabinofuranosylcytosine 5'-palmitate
    • Cytosine, 1-.beta.-D-arabinofuranosyl-, 5'-palmitate
    • 4-Amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-2-(1H)-pyrimidinone
    • 2(1H)-Pyrimidinone, 4-amino-1-(5-O-(1-oxohexadecyl)-beta-D-arabinofuranosyl)-
    • CYTARABINE-5'-PALMITATE
    • TFX122G3KD
    • Q27289945
    • Palmitoyl cytarabine
    • Aracytidine 5'-palmitate
    • [(2R,3S,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hexadecanoate
    • AI3-62073
    • 1-.beta.-D-Arabinofuranosylcytosine 5'-palmitate
    • Inchi： 1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(29)33-18-19-22(30)23(31)24(34-19)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,30-31H,2-15,18H2,1H3,(H2,26,27,32)/t19-,22-,23+,24-/m1/s1
    • InChI Key： SHBAKEKBTCPUFI-OUJCMCIWSA-N
    • SMILES： O1[C@H]([C@H]([C@@H]([C@H]1COC(CCCCCCCCCCCCCCC)=O)O)O)N1C(N=C(C=C1)N)=O

Computed Properties

  • Exact Mass: 481.315
  • Monoisotopic Mass: 481.315
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 18
  • Complexity: 684
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 135A^2

Experimental Properties

  • Density: 1.1644 (rough estimate)
  • Boiling Point: 579.27°C (rough estimate)
  • Flash Point: 337.3°C
  • Refractive Index: 1.7120 (estimate)
  • PSA: 136.90000
  • LogP: 4.05040

2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxohexadecyl)-b-D-arabinofuranosyl]- Related Literature

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