ChemSpider 2D Image | 8-[(2-Amino-2-oxoethyl)sulfanyl]-7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium | C11H16N5O3S

8-[(2-Amino-2-oxoethyl)sulfanyl]-7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium

  • Molecular FormulaC11H16N5O3S
  • Average mass298.341 Da
  • Monoisotopic mass298.096832 Da
  • ChemSpider ID21211003

  • Charge - Charge

More details:

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

1H-Purinium, 8-[(2-amino-2-oxoethyl)thio]-2,3,6,7-tetrahydro-3-methyl-7-(1-methylethyl)-2,6-dioxo- [ACD/Index Name]
8-[(2-Amino-2-oxoethyl)sulfanyl]-7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium [ACD/IUPAC Name]
8-[(2-Amino-2-oxoethyl)sulfanyl]-7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium [German] [ACD/IUPAC Name]
8-[(2-Amino-2-oxoéthyl)sulfanyl]-7-isopropyl-3-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-9-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.38
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.15
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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