Cytidine,2'-deoxy-5-(trifluoromethyl)- supplier

Name
5-(TRIFLUOROMETHYL)-2'-DEOXYCYTIDINE
EINECS
CAS No. 66384-66-5
Article Data5
CAS DataBase
Density 1.82 g/cm³
Solubility
Melting Point 121 °C
Formula C₁₀H₁₂F₃N₃O₄
Boiling Point 433 °C at 760 mmHg
Molecular Weight 295.218
Flash Point 215.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Trifluoromethyl-2'-deoxycytidine;5-Trifluoromethyldeoxycytidine;
PSA 110.60000
LogP 0.06620

Cytidine,2'-deoxy-5-(trifluoromethyl)- Specification

The Cytidine,2'-deoxy-5-(trifluoromethyl)-, also known as TFMDC, is an organic compound with the formula C₁₀H₁₂F₃N₃O₄. With the CAS registry number 66384-66-5, its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Cytidine,2'-deoxy-5-(trifluoromethyl)-: (1)ACD/LogP: -0.10; (2)ACD/LogD (pH 5.5): -0.1; (3)ACD/LogD (pH 7.4): -0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.01; (7)ACD/KOC (pH 7.4): 21.02; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 56.54 cm³; (13)Molar Volume: 161.3 cm³; (14)Surface Tension: 57 dyne/cm; (15)Density: 1.82 g/cm³; (16)Flash Point: 215.7 °C; (17)Enthalpy of Vaporization: 79.53 kJ/mol; (18)Boiling Point: 433 °C at 760 mmHg; (19)Vapour Pressure: 2.59E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)C(F)(F)F)CO)O
(2)Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(F)(F)F)CO)O
(3)InChI: InChI=1S/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5-,6+,7+/m0/s1
(4)InChIKey: XNSPCSMIPDACTB-RRKCRQDMSA-N

Product Name

5-(TRIFLUOROMETHYL)-2'-DEOXYCYTIDINE

Cytidine,2'-deoxy-5-(trifluoromethyl)- Specification

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