ChemSpider 2D Image | Diethyl N-{4-[1-{2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl}-3-(tetrahydro-2H-pyran-2-yloxy)-2-propanyl]benzoyl}-L-glutamate | C36H51N5O9

Diethyl N-{4-[1-{2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl}-3-(tetrahydro-2H-pyran-2-yloxy)-2-propanyl]benzoyl}-L-glutamate

  • Molecular FormulaC36H51N5O9
  • Average mass697.818 Da
  • Monoisotopic mass697.368652 Da
  • ChemSpider ID8660250

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

Diethyl N-{4-[1-{2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl}-3-(tetrahydro-2H-pyran-2-yloxy)-2-propanyl]benzoyl}-L-glutamate [ACD/IUPAC Name]
Diethyl-N-{4-[1-{2-[(2,2-dimethylpropanoyl)amino]-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl}-3-(tetrahydro-2H-pyran-2-yloxy)-2-propanyl]benzoyl}-L-glutamat [German] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-1,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl]-1-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]ethyl]benzoyl]-, diethyl ester [ACD/Index Name]
N-{4-[1-{2-[(2,2-Diméthylpropanoyl)amino]-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl}-3-(tétrahydro-2H-pyran-2-yloxy)-2-propanyl]benzoyl}-L-glutamate de diéthyle [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 183.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 72.26
ACD/KOC (pH 5.5): 735.75
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.10
ACD/KOC (pH 7.4): 764.63
Polar Surface Area: 183 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 533.4±7.0 cm3

Click to predict properties on the Chemicalize site


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