ChemSpider 2D Image | N-{4-[2-(2-Amino-4-oxo-4,6-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-alpha-glutamyl-L-glutamic acid | C25H28N6O9

N-{4-[2-(2-Amino-4-oxo-4,6-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-α-glutamyl-L-glutamic acid

  • Molecular FormulaC25H28N6O9
  • Average mass556.525 Da
  • Monoisotopic mass556.191772 Da
  • ChemSpider ID111312055

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-{4-[2-(2-amino-4-oxo-4,6-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl}-L-α-glutamyl-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[2-(2-amino-4,6-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-α-glutamyl- [ACD/Index Name]
N-{4-[2-(2-Amino-4-oxo-4,6-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-α-glutamyl-L-glutamic acid [ACD/IUPAC Name]
N-{4-[2-(2-Amino-4-oxo-4,6-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-α-glutamyl-L-glutaminsäure [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 135.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -6.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 74.4±7.0 dyne/cm
Molar Volume: 344.6±7.0 cm3

Click to predict properties on the Chemicalize site


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