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2'-Fluoro-2'-deoxyadenosine

  • Name 2'-Fluoro-2'-deoxyadenosine
  • EINECS814-045-6
  • CAS No. 64183-27-3
  • Density2.01 g/cm3
  • PSA119.31000
  • LogP-0.42160
  • SolubilitySoluble in water.
  • Melting PointN/A
  • FormulaC10H12FN5O3
  • Boiling Point628.6 °C at 760 mmHg
  • Molecular Weight269.235
  • Flash Point334 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 64183-27-3 (2'-Fluoro-2'-deoxyadenosine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data37

2'-Fluoro-2'-deoxyadenosine 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

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