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Basic Information
CAS No.: 122799-38-6
Name: 2'-DEOXY-2'-FLUOROTHYMIDINE
Molecular Structure:
Molecular Structure of 122799-38-6 (2'-DEOXY-2'-FLUOROTHYMIDINE)
Formula: C10H13FN2O5
Molecular Weight: 260.222
Synonyms: 2'-Deoxy-2'-fluorothymidine;2'-fluorothymidine;thymidine, 2'-fluoro-;
Density: 1.55 g/cm3
Melting Point: 185-186 °C
PSA: 104.55000
LogP: -1.56630
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Specification

The Uridine,2'-deoxy-2'-fluoro-5-methyl-, with the CAS registry number 122799-38-6, has the systematic name of 2'-fluorothymidine. It belongs to the following product categories: Pyridines, Pyrimidines, Purines and Pteredines. And the molecular formula of the chemical is C10H13FN2O5.

The characteristics of Uridine,2'-deoxy-2'-fluoro-5-methyl- are as followings: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.62; (8)ACD/KOC (pH 7.4): 9.37; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.31 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 56.54 cm3; (15)Molar Volume: 166.9 cm3; (16)Polarizability: 22.41×10-24cm3; (17)Surface Tension: 65.8 dyne/cm ; (18)Density: 1.55 g/cm3.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/1NC(=O)N(\C=C\1C)[C@@H]2O[C@@H]([C@@H](O)[C@H]2F)CO
(2)InChI: InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1
(3)InChIKey: GBBJCSTXCAQSSJ-JXOAFFINBP