ChemSpider 2D Image | 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-[(2,2,3,3,3-~3~H_5_)propylsulfanyl]adenosine | C14H17T5Cl2N5O12P3S

5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-[(2,2,3,3,3-3H5)propylsulfanyl]adenosine

  • Molecular FormulaC14H17T5Cl2N5O12P3S
  • Average mass658.284 Da
  • Monoisotopic mass656.998657 Da
  • ChemSpider ID23264057

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

5'-O-[({[Dichlor(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-[(2,2,3,3,3-3H5)propylsulfanyl]adenosin [German] [ACD/IUPAC Name]
5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-[(2,2,3,3,3-3H5)propylsulfanyl]adenosine [ACD/IUPAC Name]
5'-O-[({[Dichloro(phosphono)méthyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-2-[(2,2,3,3,3-3H5)propylsulfanyl]adénosine [French] [ACD/IUPAC Name]
adenosine, 5'-O-[[[(dichlorophosphonomethyl)hydroxyphosphinyl]oxy]hydroxyphosphinyl]-2-(propyl-2,2,3,3,3-t5-thio)- [ACD/Index Name]
[[[[(2R,3S,4R,5R)-5-[6-amino-2-(2,2,3,3,3-pentatritiopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid
[3H]AR-C67085
[3H]AR-C67085|[3H]AR-C67085MX
[3H]AR-C67085MX
[3H]PSB-0413
[3H]2-propylthioadenosine-5-adenylic acid (1,1-dichloro-1-phosphonomethyl-1-phosphonyl)anhydride
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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