CAS No.64183-27-3,2'-Fluoro-2'-deoxyadenosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64183-27-3
Name:	2'-Fluoro-2'-deoxyadenosine
Article Data:	37

Formula:	C₁₀H₁₂FN₅O₃
Molecular Weight:	269.235
Synonyms:	2'-Deoxy-2'-fluoroadenosine;2'-Fluoro-2'-deoxyadenosine;NSC 274941;
EINECS:	814-045-6
Density:	2.01 g/cm³
Boiling Point:	628.6 °C at 760 mmHg
Flash Point:	334 °C
Solubility:	Soluble in water.
PSA:	119.31000
LogP:	-0.42160

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Specification

The 2'-Fluoro-2'-deoxyadenosine, with CAS registry number 64183-27-3, has the systematic name of 2'-deoxy-2'-fluoroadenosine. Besides this, it is also called adenosine, 2'-deoxy-2'-fluoro-. And the chemical formula of this chemical is C₁₀H₁₂FN₅O₃.

Physical properties of 2'-Fluoro-2'-deoxyadenosine: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.64; (8)ACD/KOC (pH 7.4): 15.85; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.53 Å²; (13)Index of Refraction: 1.834; (14)Molar Refractivity: 58.97 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 23.38×10^-24cm³; (17)Surface Tension: 85.9 dyne/cm; (18)Enthalpy of Vaporization: 97.77 kJ/mol; (19)Vapour Pressure: 1.14E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: F[C@@H]3[C@H](O)[C@H](O[C@H]3n2cnc1c(ncnc12)N)CO
(2)InChI: InChI=1/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
(3)InChIKey: ZGYYPTJWJBEXBC-QYYRPYCUBG
(4)Std. InChI: InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
(5)Std. InChIKey: ZGYYPTJWJBEXBC-QYYRPYCUSA-N