ChemSpider 2D Image | 2-{4-[(E)-2-(1,3-Diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)vinyl]phenoxy}-N,N-bis(2-methoxyethyl)acetamide | C26H35N5O6

2-{4-[(E)-2-(1,3-Diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)vinyl]phenoxy}-N,N-bis(2-methoxyethyl)acetamide

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID84443226

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{4-[(E)-2-(1,3-Diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)vinyl]phenoxy}-N,N-bis(2-methoxyethyl)acetamid [German] [ACD/IUPAC Name]
2-{4-[(E)-2-(1,3-Diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)vinyl]phenoxy}-N,N-bis(2-methoxyethyl)acetamide [ACD/IUPAC Name]
2-{4-[(E)-2-(1,3-Diéthyl-7-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)vinyl]phénoxy}-N,N-bis(2-méthoxyéthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[(E)-2-(1,3-diethyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)ethenyl]phenoxy]-N,N-bis(2-methoxyethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.5±35.7 °C
Index of Refraction: 1.578
Molar Refractivity: 139.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.97
ACD/KOC (pH 5.5): 424.88
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.97
ACD/KOC (pH 7.4): 424.89
Polar Surface Area: 106 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 419.9±7.0 cm3

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