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Basic Information
CAS No.: 110522-75-3
Name: IBU-DEOXYCYTIDINE
Molecular Structure:
Molecular Structure of 110522-75-3 (IBU-DEOXYCYTIDINE)
Formula: C13H19N3O5
Molecular Weight: 297.311
Synonyms: 1-(5-Isoquinolinesulfonyl)-3-methylpiperazine;
Density: 1.49 g/cm3
PSA: 113.68000
LogP: -0.44850
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Specification

The Cytidine,2'-deoxy-N-(2-methyl-1-oxopropyl)- (9CI), also known as 1-(5-Isoquinolinesulfonyl)-3-methylpiperazine, is an organic compound with the formula C13H19N3O5. It belongs to the product categories of Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. With the CAS registry number 110522-75-3, its systematic name is 1-(2-deoxypentofuranosyl)-4-[(2-methylpropanoyl)amino]pyrimidin-2(1H)-one.

Physical properties of Cytidine,2'-deoxy-N-(2-methyl-1-oxopropyl)- (9CI): (1)ACD/LogP: -0.17; (2)#H bond acceptors: 8; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Index of Refraction: 1.641; (6)Molar Refractivity: 71.84 cm3; (7)Molar Volume: 199 cm3; (8)Surface Tension: 57.1 dyne/cm; (9)Density: 1.49 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N/C/1=N/C(=O)N(\C=C\1)C2OC(C(O)C2)CO)C(C)C
(2)InChI: InChI=1/C13H19N3O5/c1-7(2)12(19)14-10-3-4-16(13(20)15-10)11-5-8(18)9(6-17)21-11/h3-4,7-9,11,17-18H,5-6H2,1-2H3,(H,14,15,19,20)
(3)InChIKey: PDTIVAGPIHEWDX-UHFFFAOYAV