ChemSpider 2D Image | N-(4-{[(2,4-Diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)methyl](2-propyn-1-yl)amino}benzoyl)glutamic acid | C25H27N7O5

N-(4-{[(2,4-Diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)methyl](2-propyn-1-yl)amino}benzoyl)glutamic acid

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID23206255

More details:

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

Acide N-(4-{[(2,4-diamino-5-éthylpyrido[2,3-d]pyrimidin-6-yl)méthyl](2-propyn-1-yl)amino}benzoyl)glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(2,4-diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)methyl]-2-propyn-1-ylamino]benzoyl]- [ACD/Index Name]
N-(4-{[(2,4-Diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)methyl](2-propin-1-yl)amino}benzoyl)glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)methyl](2-propyn-1-yl)amino}benzoyl)glutamic acid [ACD/IUPAC Name]
N-(4-{[(2,4-diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)glutamic acid
2-{4-[(2,4-Diamino-5-ethyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 84.6±3.0 dyne/cm
Molar Volume: 352.1±3.0 cm3

Click to predict properties on the Chemicalize site


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