5'-oleoyl cytarabine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 6
PubChem 6438895
Molecular Formula

C27H45N3O6

SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O

InChI

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

synonyms
  • Elacytarabine
  • 188181-42-2
  • CP-4055
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Properties
Property Value
MW 507.7 g/mol
HBD 3
HBA 6
Rotatable Bond Count 19
Exact Mass 507.33083616 g/mol
Monoisotopic Mass 507.33083616 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 754
xlogp 5.7
Topological Polar Surface Area 135