ChemSpider 2D Image | 5-({7-(2-Butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)-2-hydroxypentanoic acid | C25H27N7O5

5-({7-(2-Butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)-2-hydroxypentanoic acid

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID81367174

More details:

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

5-({7-(2-Butin-1-yl)-3-methyl-1-[(4-methyl-2-chinazolinyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)-2-hydroxypentansäure [German] [ACD/IUPAC Name]
5-({7-(2-Butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)-2-hydroxypentanoic acid [ACD/IUPAC Name]
Acide 5-({7-(2-butyn-1-yl)-3-méthyl-1-[(4-méthyl-2-quinazolinyl)méthyl]-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl}amino)-2-hydroxypentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]amino]-2-hydroxy- [ACD/Index Name]
1807898-15-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.9±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.22
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 355.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement