The Thymidine, 5'-amino-5'-deoxy-, with the CAS registry number 25152-20-9, is also known as 5'-Amino-5'-deoxy-D-thymidine. It belongs to the product categories of Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. This chemical's molecular formula is C10H15N3O4 and molecular weight is 241.24. What's more, its IUPAC name is 1-[(2R, 4S, 5R)-5-(Aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2, 4-dione. In addition, it must be stored at 2-8 °C.
Physical properties about Thymidine, 5'-amino-5'-deoxy- are: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.88; (4)ACD/LogD (pH 7.4): -3.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.32 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 57.84 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 22.93×10-24 cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.394 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C/1NC(=O)N(\C=C\1C)[C@@H]2O[C@@H]([C@@H](O)C2)CN
(2) InChI: InChI=1/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
(3) InChIKey: PYWLBQPICCQJFF-XLPZGREQBE
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