ChemSpider 2D Image | N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-8-(1-propyn-1-yl)adenosine | C41H37N5O6

N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-8-(1-propyn-1-yl)adenosine

  • Molecular FormulaC41H37N5O6
  • Average mass695.762 Da
  • Monoisotopic mass695.274414 Da
  • ChemSpider ID9017682

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-8-(1-propyn-1-yl)- [ACD/Index Name]
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-8-(1-propyn-1-yl)adenosine [ACD/IUPAC Name]
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-desoxy-8-(1-propin-1-yl)adenosin [German] [ACD/IUPAC Name]
N-Benzoyl-5'-O-[bis(4-méthoxyphényl)(phényl)méthyl]-2'-désoxy-8-(1-propyn-1-yl)adénosine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 197.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41175.09
ACD/KOC (pH 5.5): 69433.25
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 14588.77
ACD/KOC (pH 7.4): 24600.94
Polar Surface Area: 130 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 544.1±7.0 cm3

Click to predict properties on the Chemicalize site


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