Thymidine,3'-amino-3'-deoxy- (52450-18-7)

This chemical is called 3'-Amino-2',3'-dideoxythymidine, and its IUPAC name is 1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione. With the molecular formula of C₁₀H₁₅N₃O₄, its molecular weight is 241.24. In addition, its CAS registry number is 52450-18-7, and its product categories are Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. Moreover, this chemical is off-white solid, and it should be stored at the temperature of 2-8°C. 

Other characteristics of the 3'-Amino-2',3'-dideoxythymidine can be summarised as followings: (1)XLogP3: -1; (2)Rotatable Bond Count: 2; (3)Tautomer Count: 3; (4)Exact Mass: 241.106256; (5)MonoIsotopic Mass: 241.106256; (6)Topological Polar Surface Area: 105; (7)Heavy Atom Count: 17; (8)Formal Charge: 0; (9)Complexity: 382; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 3; (12)Covalently-Bonded Unit Count: 1; (13)ACD/LogP: -1.85; (14)# of Rule of 5 Violations: 0; (15)ACD/LogD (pH 5.5): -4.88; (16)ACD/LogD (pH 7.4): -3.75; (17)ACD/BCF (pH 5.5): 1; (18)ACD/BCF (pH 7.4): 1; (19)ACD/KOC (pH 5.5): 1; (20)ACD/KOC (pH 7.4): 1; (21)#H bond acceptors: 7; (22)#H bond donors: 4; (23)#Freely Rotating Bonds: 4; (24)Polar Surface Area: 62.32 Å²; (25)Index of Refraction: 1.583; (26)Molar Refractivity: 57.84 cm³; (27)Molar Volume: 172.9 cm³; (28)Polarizability: 22.93×10^-24cm³; (29)Surface Tension: 59.9 dyne/cm; (30)Density: 1.394 g/cm³.

When you are using this chemical, please be cautious about it as the following: The 3'-Amino-2',3'-dideoxythymidine is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: PYWLBQPICCQJFF-XLPZGREQSA-N