ChemSpider 2D Image | (3-Butyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-(methylsulfonyl)prolinate | C18H27N5O6S

(3-Butyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-(methylsulfonyl)prolinate

  • Molecular FormulaC18H27N5O6S
  • Average mass441.502 Da
  • Monoisotopic mass441.168213 Da
  • ChemSpider ID21926999

More details:

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

(3-Butyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-(methylsulfonyl)prolinate [ACD/IUPAC Name]
(3-Butyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl-1-(methylsulfonyl)prolinat [German] [ACD/IUPAC Name]
1-(Méthylsulfonyl)prolinate de (3-butyl-7-éthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)méthyle [French] [ACD/IUPAC Name]
Proline, 1-(methylsulfonyl)-, (3-butyl-7-ethyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)methyl ester [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: 1.662
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 74.07
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 73.71
Polar Surface Area: 139 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 294.5±7.0 cm3

Click to predict properties on the Chemicalize site


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