ChemSpider 2D Image | N-(2-Aminoethyl)-N'-(N-{(4R)-4-[(diphenylacetyl)amino]-5-[(4-hydroxybenzyl)amino]-5-oxopentyl}carbamimidoyl)succinamide | C33H41N7O5

N-(2-Aminoethyl)-N'-(N-{(4R)-4-[(diphenylacetyl)amino]-5-[(4-hydroxybenzyl)amino]-5-oxopentyl}carbamimidoyl)succinamide

  • Molecular FormulaC33H41N7O5
  • Average mass615.722 Da
  • Monoisotopic mass615.316895 Da
  • ChemSpider ID25055507

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanediamide, N1-(2-aminoethyl)-N4-[[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[[(4-hydroxyphenyl)methyl]amino]-5-oxopentyl]amino]iminomethyl]- [ACD/Index Name]
N-(2-Aminoéthyl)-N'-(N-{(4R)-4-[(2,2-diphénylacétyl)amino]-5-[(4-hydroxybenzyl)amino]-5-oxopentyl}carbamimidoyl)succinamide [French] [ACD/IUPAC Name]
N-(2-Aminoethyl)-N'-(N-{(4R)-4-[(diphenylacetyl)amino]-5-[(4-hydroxybenzyl)amino]-5-oxopentyl}carbamimidoyl)succinamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-N'-(N-{(4R)-4-[(diphenylacetyl)amino]-5-[(4-hydroxybenzyl)amino]-5-oxopentyl}carbamimidoyl)succinamide [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: 1.627
Molar Refractivity: 170.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 480.6±7.0 cm3

Click to predict properties on the Chemicalize site


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