Cas no 31088-08-1 (2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxooctyl)-b-D-arabinofuranosyl]-)

2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxooctyl)-b-D-arabinofuranosyl]- structure
31088-08-1 structure
Product Name:2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxooctyl)-b-D-arabinofuranosyl]-
CAS No:31088-08-1
MF:C17H27N3O6
MW:369.412784814835
CID:306423
PubChem ID:3034234
Update Time:2025-04-19

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

Names and Identifiers

    • 2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxooctyl)-b-D-arabinofuranosyl]-
    • [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octanoate
    • ((2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl octanoate
    • 2(1H)-Pyrimidinone, 4-amino-1-(5-O-(1-oxooctyl)-beta-D-arabinofuranosyl)-
    • Ara-c 5'octanoate
    • 31088-08-1
    • DTXSID50185033
    • Cytarabine 5'-octanoate
    • 4-Amino-1-(5-O-(1-oxooctyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone
    • Inchi： 1S/C17H27N3O6/c1-2-3-4-5-6-7-13(21)25-10-11-14(22)15(23)16(26-11)20-9-8-12(18)19-17(20)24/h8-9,11,14-16,22-23H,2-7,10H2,1H3,(H2,18,19,24)/t11-,14-,15+,16-/m1/s1
    • InChI Key： ZBKLVTBZDUWUFR-BQDHKBFISA-N
    • SMILES： O1[C@H]([C@H]([C@@H]([C@H]1COC(CCCCCCC)=O)O)O)N1C(N=C(C=C1)N)=O

Computed Properties

  • Exact Mass: 369.189986
  • Monoisotopic Mass: 369.189986
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 10
  • Complexity: 565
  • 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: 1.2
  • Topological Polar Surface Area: 135

Experimental Properties

  • Density: 1.4
  • Boiling Point: 562.9°C at 760 mmHg
  • Flash Point: 294.3°C
  • Refractive Index: 1.606

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

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