ChemSpider 2D Image | 5'-O-[(S)-{[(2S)-2-Amino-6-(propionylamino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosine | C19H30N7O9P

5'-O-[(S)-{[(2S)-2-Amino-6-(propionylamino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC19H30N7O9P
  • Average mass531.457 Da
  • Monoisotopic mass531.184265 Da
  • ChemSpider ID35034682

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-[(S)-{[(2S)-2-Amino-6-(propionylamino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(S)-{[(2S)-2-Amino-6-(propionylamino)hexanoyl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(S)-{[(2S)-2-Amino-6-(propionylamino)hexanoyl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(S)-[[(2S)-2-amino-1-oxo-6-[(1-oxopropyl)amino]hexyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
(S)-2-Amino-6-Propionamidohexanoic(((2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)methyl Phosphoric)anhydride
YLP

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 85.5±7.0 dyne/cm
Molar Volume: 298.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement