ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2'-deoxy-2'-{[(3,4,5-trihydroxy-1-cyclohexen-1-yl)carbonyl]amino}adenosine | C25H28N6O9

N-(1,3-Benzodioxol-5-ylmethyl)-2'-deoxy-2'-{[(3,4,5-trihydroxy-1-cyclohexen-1-yl)carbonyl]amino}adenosine

  • Molecular FormulaC25H28N6O9
  • Average mass556.525 Da
  • Monoisotopic mass556.191772 Da
  • ChemSpider ID9148911

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

Adenosine, N-(1,3-benzodioxol-5-ylmethyl)-2'-deoxy-2'-[[(3,4,5-trihydroxy-1-cyclohexen-1-yl)carbonyl]amino]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2'-deoxy-2'-{[(3,4,5-trihydroxy-1-cyclohexen-1-yl)carbonyl]amino}adenosine [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2'-desoxy-2'-{[(3,4,5-trihydroxy-1-cyclohexen-1-yl)carbonyl]amino}adenosin [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2'-désoxy-2'-{[(3,4,5-trihydroxy-1-cyclohexén-1-yl)carbonyl]amino}adénosine [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.821
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.18
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.21
Polar Surface Area: 214 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 85.9±7.0 dyne/cm
Molar Volume: 300.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement