ChemSpider 2D Image | [8-(2,6-Dimethyl-4-morpholinyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid | C15H21N5O5

[8-(2,6-Dimethyl-4-morpholinyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid

  • Molecular FormulaC15H21N5O5
  • Average mass351.358 Da
  • Monoisotopic mass351.154266 Da
  • ChemSpider ID21929731

More details:

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

[8-(2,6-Dimethyl-4-morpholinyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid [ACD/IUPAC Name]
[8-(2,6-Dimethyl-4-morpholinyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]essigsäure [German] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 8-(2,6-dimethyl-4-morpholinyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- [ACD/Index Name]
Acide [8-(2,6-diméthyl-4-morpholinyl)-1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl]acétique [French] [ACD/IUPAC Name]
1021125-77-8 [RN]
2-(8-(2,6-dimethylmorpholino)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 595.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 314.0±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 87.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 228.5±7.0 cm3

Click to predict properties on the Chemicalize site


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