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Search term: BUMPFXRZUYYODO-QRPMWFLTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2'-Deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate) | C12H15FN5O12P3

2'-Deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC12H15FN5O12P3
  • Average mass533.193 Da
  • Monoisotopic mass532.991394 Da
  • ChemSpider ID23341425

  • 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'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-Desoxy-4'-ethinyl-2-fluoradenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-4'-éthynyl-2-fluoroadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-4'-C-ethynyl-2-fluoro-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
4'-ethynyl-2-fluoro-2'-deoxyadenosine triphosphate
6FN
950913-56-1 [RN]
EFdA-TP
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518606/

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

Density: 2.3±0.1 g/cm3
Boiling Point: 944.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 524.8±37.1 °C
Index of Refraction: 1.780
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.52
ACD/LogD (pH 5.5): -10.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 135.4±7.0 dyne/cm
Molar Volume: 234.6±7.0 cm3

Click to predict properties on the Chemicalize site


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