ChemSpider 2D Image | 8-[(E)-2-Carboxyvinyl]adenosine | C13H15N5O6

8-[(E)-2-Carboxyvinyl]adenosine

  • Molecular FormulaC13H15N5O6
  • Average mass337.288 Da
  • Monoisotopic mass337.102234 Da
  • ChemSpider ID24718083
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

8-[(E)-2-Carboxyvinyl]adenosin [German] [ACD/IUPAC Name]
8-[(E)-2-Carboxyvinyl]adenosine [ACD/IUPAC Name]
8-[(E)-2-Carboxyvinyl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 8-[(E)-2-carboxyethenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 801.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.4±37.1 °C
Index of Refraction: 1.836
Molar Refractivity: 75.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 99.5±7.0 dyne/cm
Molar Volume: 171.0±7.0 cm3

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