ChemSpider 2D Image | 1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester | C15H22F4N5O12P3

1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester

  • Molecular FormulaC15H22F4N5O12P3
  • Average mass633.276 Da
  • Monoisotopic mass633.041382 Da
  • ChemSpider ID392089

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester
5'-O-(Hydroxy{[hydroxy(1,1,5,5-tetrafluor-5-phosphonopentyl)phosphoryl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(1,1,5,5-tetrafluoro-5-phosphonopentyl)phosphoryl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(1,1,5,5-tétrafluoro-5-phosphonopentyl)phosphoryl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy(1,1,5,5-tetrafluoro-5-phosphonopentyl)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
BIS

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

Density: 2.2±0.1 g/cm3
Boiling Point: 915.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 507.3±37.1 °C
Index of Refraction: 1.705
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.31
ACD/LogD (pH 5.5): -9.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 106.2±7.0 dyne/cm
Molar Volume: 288.3±7.0 cm3

Click to predict properties on the Chemicalize site


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