ChemSpider 2D Image | ARL66096 | C14H22F2N5O12P3S

ARL66096

  • Molecular FormulaC14H22F2N5O12P3S
  • Average mass615.334 Da
  • Monoisotopic mass615.016663 Da
  • ChemSpider ID4470549

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({[Difluor(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-(propylsulfanyl)adenosin [German] [ACD/IUPAC Name]
5'-O-[({[Difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-(propylsulfanyl)adenosine [ACD/IUPAC Name]
5'-O-[({[Difluoro(phosphono)méthyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-(propylsulfanyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[(difluorophosphonomethyl)hydroxyphosphinyl]oxy]hydroxyphosphinyl]-2-(propylthio)- [ACD/Index Name]
ARL66096
({[({[(2R,3S,4R,5R)-5-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid
145782-74-7 [RN]
145783-24-0 [RN]
2-propylthio-&β;&γ;-difluoromethylene ATP
2-propylthio-&β;&γ;-difluoromethylene ATP|ARL 66096|FPL66096
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point: 956.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.8±3.0 kJ/mol
Flash Point: 532.1±37.1 °C
Index of Refraction: 1.775
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -9.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 122.2±7.0 dyne/cm
Molar Volume: 274.8±7.0 cm3

Click to predict properties on the Chemicalize site


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