Found 2 results

Search term: YBERXWZYZALHSL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-(2-Hydroxyethyl)-3-methyl-8-[(4-methylbenzyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium | C16H20N5O3

7-(2-Hydroxyethyl)-3-methyl-8-[(4-methylbenzyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium

  • Molecular FormulaC16H20N5O3
  • Average mass330.361 Da
  • Monoisotopic mass330.156067 Da
  • ChemSpider ID21204530

  • Charge - Charge

More details:

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

1H-Purinium, 2,3,6,7-tetrahydro-7-(2-hydroxyethyl)-3-methyl-8-[[(4-methylphenyl)methyl]amino]-2,6-dioxo- [ACD/Index Name]
7-(2-Hydroxyethyl)-3-methyl-8-[(4-methylbenzyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium [ACD/IUPAC Name]
7-(2-Hydroxyethyl)-3-methyl-8-[(4-methylbenzyl)amino]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium [German] [ACD/IUPAC Name]
7-(2-Hydroxyéthyl)-3-méthyl-8-[(4-méthylbenzyl)amino]-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: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.22
ACD/KOC (pH 5.5): 157.24
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.16
ACD/KOC (pH 7.4): 156.07
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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