ChemSpider 2D Image | N~2~-{3-[(4S)-4-(3-Aminopropyl)-2,5-dioxo-1-imidazolidinyl]benzoyl}-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine | C25H27N5O8

N2-{3-[(4S)-4-(3-Aminopropyl)-2,5-dioxo-1-imidazolidinyl]benzoyl}-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagine

  • Molecular FormulaC25H27N5O8
  • Average mass525.511 Da
  • Monoisotopic mass525.185974 Da
  • ChemSpider ID8729485

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N2-{3-[(4S)-4-(3-Aminopropyl)-2,5-dioxo-1-imidazolidinyl]benzoyl}-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagin [German] [ACD/IUPAC Name]
N2-{3-[(4S)-4-(3-Aminopropyl)-2,5-dioxo-1-imidazolidinyl]benzoyl}-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagine [ACD/IUPAC Name]
N2-{3-[(4S)-4-(3-Aminopropyl)-2,5-dioxo-1-imidazolidinyl]benzoyl}-N-[(S)-carboxy(phényl)méthyl]-L-α-asparagine [French] [ACD/IUPAC Name]
3-{3-[4-(3-Amino-propyl)-2,5-dioxo-imidazolidin-1-yl]-benzoylamino}-N-(carboxy-phenyl-methyl)-succinamic acid
N2-{3-[(4S)-4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]benzoyl}-N-[(S)-carboxy(phenyl)methyl]-L-α-asparagine

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: 1.624
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 370.6±3.0 cm3

Click to predict properties on the Chemicalize site


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