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Search term: C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2'-Deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) | C12H13FN5O6P

2'-Deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC12H13FN5O6P
  • Average mass373.234 Da
  • Monoisotopic mass373.058746 Da
  • ChemSpider ID59052985

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2'-Deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
2'-Desoxy-4'-ethinyl-2-fluoradenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-4'-éthynyl-2-fluoroadénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-4'-C-ethynyl-2-fluoro-, 5'-(dihydrogen phosphate) [ACD/Index Name]
6FM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 789.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 431.2±35.7 °C
Index of Refraction: 1.754
Molar Refractivity: 78.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -4.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 92.2±7.0 dyne/cm
Molar Volume: 191.9±7.0 cm3

Click to predict properties on the Chemicalize site


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