ChemSpider 2D Image | ADENOSINE-5'-PROPYLPHOSPHATE | C13H20N5O7P

ADENOSINE-5'-PROPYLPHOSPHATE

  • Molecular FormulaC13H20N5O7P
  • Average mass389.301 Da
  • Monoisotopic mass389.110046 Da
  • ChemSpider ID26329945

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{5-O-[(S)-Hydroxy(propoxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[(S)-Hydroxy(propoxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[(S)-Hydroxy(propoxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[(S)-hydroxypropoxyphosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
ADENOSINE-5'-PROPYLPHOSPHATE
{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propoxy)phosphinic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point: 701.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.2±35.7 °C
Index of Refraction: 1.751
Molar Refractivity: 84.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -4.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 91.3±7.0 dyne/cm
Molar Volume: 206.2±7.0 cm3

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