Hexadecanamide,N-[1-(2-cyano-2-deoxy-b-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]- (151823-14-2)

The CAS register number of Sapacitabine is 151823-14-2. It also can be called as Hexadecanamide,N-[1-(2-cyano-2-deoxy-b-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]- and the systematic name about this chemical is N-[1-[(2R,3S,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide. The molecular formula about this chemical is C₂₆H₄₂N₄O₅ and the molecular weight is 490.63.

Physical properties about Sapacitabine are: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.66; (5)ACD/BCF (pH 5.5): 11940.25; (6)ACD/BCF (pH 7.4): 11856.13; (7)ACD/KOC (pH 5.5): 28833.92; (8)ACD/KOC (pH 7.4): 28630.79; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 104.46?²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 133.86 cm³; (15)Molar Volume: 405.3 cm³; (16)Polarizability: 53.06x10^-24cm³; (17)Surface Tension: 47.4 dyne/cm.

The Sapacitabine is an oral nucleoside analog prodrug that acts through a dual mechanism. The compound interferes with DNA synthesis by causing single-strand DNA breaks and induces arrest of the cell division cycle at G2 phase.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N/C/1=N/C(=O)N(\C=C\1)[C@@H]2O[C@@H]([C@@H](O)[C@@H]2C#N)CO)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1
(3)InChIKey: LBGFKUUHOPIEMA-PEARBKPGBH
(4)Std. InChI: InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1
(5)Std. InChIKey: LBGFKUUHOPIEMA-PEARBKPGSA-N