ChemSpider 2D Image | 5'-O-[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]adenosine | C20H27ClN7O6P

5'-O-[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC20H27ClN7O6P
  • Average mass527.898 Da
  • Monoisotopic mass527.144897 Da
  • ChemSpider ID2339789

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({4-[(2-Chlorethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[({4-[(2-Chloroéthyl)(méthyl)amino]benzyl}amino)(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[4-[(2-chloroethyl)methylamino]phenyl]methyl]amino]hydroxyphosphinyl]- [ACD/Index Name]
32455-51-9 [RN]
Adenosine monophosphate-4-(N-2-chloroethyl-N-methylamino)benzylamidate
Adenosine, 5'-(hydrogen ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidate)
Adenosine, 5'-(hydrogen(p-((2-chloroethyl)methylamino)benzyl)phosphoramidate)
Amp-4-(N-2-chloroethyl-N-methylamino)benzylamidate
Amp-cmb

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

Density: 1.7±0.1 g/cm3
Boiling Point: 839.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.5±37.1 °C
Index of Refraction: 1.738
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 78.1±7.0 dyne/cm
Molar Volume: 308.3±7.0 cm3

Click to predict properties on the Chemicalize site


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