ChemSpider 2D Image | 5'-(Bis{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-5'-deoxy-N-(ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]adenosine | C36H45N7O8

5'-(Bis{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-5'-deoxy-N-(ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]adenosine

  • Molecular FormulaC36H45N7O8
  • Average mass703.785 Da
  • Monoisotopic mass703.332947 Da
  • ChemSpider ID30787729

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 9 defined stereocentres

More details:

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

5'-(Bis{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-5'-deoxy-N-(ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]adenosine [ACD/IUPAC Name]
5'-(Bis{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-5'-desoxy-N-(ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-yliden]adenosin [German] [ACD/IUPAC Name]
5'-(Bis{[2-(éthoxycarbonyl)cyclopropyl]méthyl}amino)-5'-désoxy-N-(éthylcarbamoyl)-2',3'-O-[(1S,2E)-3-phényl-2-propén-1-ylidène]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-[bis[[2-(ethoxycarbonyl)cyclopropyl]methyl]amino]-5'-deoxy-N-[(ethylamino)carbonyl]-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 182.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 13.89
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 73.36
ACD/KOC (pH 7.4): 319.09
Polar Surface Area: 168 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 477.7±7.0 cm3

Click to predict properties on the Chemicalize site


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