ChemSpider 2D Image | AR-C67085 | C14H22Cl2N5O12P3S

AR-C67085

  • Molecular FormulaC14H22Cl2N5O12P3S
  • Average mass648.243 Da
  • Monoisotopic mass646.957581 Da
  • ChemSpider ID4470503

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({[Dichlor(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-(propylsulfanyl)adenosin [German] [ACD/IUPAC Name]
5'-O-[({[Dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-(propylsulfanyl)adenosine [ACD/IUPAC Name]
5'-O-[({[Dichloro(phosphono)méthyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-(propylsulfanyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[(dichlorophosphonomethyl)hydroxyphosphinyl]oxy]hydroxyphosphinyl]-2-(propylthio)- [ACD/Index Name]
AR-C67085
[[[[(2R,3S,4R,5R)-5-(6-amino-2-propylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid
164992-25-0 [RN]
ARC67085
ARC-67085
AR-C67085MX
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 962.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.8±3.0 kJ/mol
Flash Point: 535.6±37.1 °C
Index of Refraction: 1.811
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -8.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 129.9±7.0 dyne/cm
Molar Volume: 287.6±7.0 cm3

Click to predict properties on the Chemicalize site


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