ChemSpider 2D Image | Methyl 1-[(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-4-piperidinecarboxylate | C22H33N5O5

Methyl 1-[(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-4-piperidinecarboxylate

  • Molecular FormulaC22H33N5O5
  • Average mass447.528 Da
  • Monoisotopic mass447.248169 Da
  • ChemSpider ID30609338

More details:

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

1-[2-(3,7-Diisobutyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-1-yl)acétyl]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[2,3,6,7-tetrahydro-3,7-bis(2-methylpropyl)-2,6-dioxo-1H-purin-1-yl]acetyl]-, methyl ester [ACD/Index Name]
Methyl 1-[(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 119.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.34
ACD/KOC (pH 5.5): 803.83
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.34
ACD/KOC (pH 7.4): 803.84
Polar Surface Area: 105 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 340.1±7.0 cm3

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