4-amino-1-(2-O-hexadecanoyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one

Molecule structure of Cytosine arabinoside palmitate (CAS NO.41948-17-8):

IUPAC Name: [(2R,3S,4R,5R)-2-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hexadecanoate 
Molecular Weight: 481.62542 g/mol
Molecular Formula: C₂₅H₄₃N₃O₆ 
Density: 1.23 g/cm³ 
Boiling Point: 630.5 °C at 760 mmHg
Flash Point: 335.1 °C
Index of Refraction: 1.566
Molar Refractivity: 127.59 cm³
Molar Volume: 391.1 cm³
Polarizability: 50.58×10^-24 cm³
Surface Tension: 47 dyne/cm 
Enthalpy of Vaporization: 106.88 kJ/mol 
Vapour Pressure: 1.52E-18 mmHg at 25 °C
XLogP3: 5.8
H-Bond Donor: 3
H-Bond Acceptor: 7
Rotatable Bond Count: 18
Tautomer Count: 3
Exact Mass: 481.315186
MonoIsotopic Mass: 481.315186
Topological Polar Surface Area: 135
Heavy Atom Count: 34
Complexity: 684
Defined Atom StereoCenter Count: 4
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1C(C(OC1N2C=CC(=NC2=O)N)CO)O
Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI: InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(30)34-23-22(31)19(18-29)33-24(23)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,29,31H,2-15,18H2,1H3,(H2,26,27,32)/t19-,22-,23+,24-/m1/s1
InChIKey of Cytosine arabinoside palmitate (CAS NO.41948-17-8): SOEXTZFBOWJCAE-OUJCMCIWSA-N

Poison by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

 Cytosine arabinoside palmitate (CAS NO.41948-17-8) is also named as 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone monohexadecanoate (ester) ; 2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohexadecanoate (ester) .