ChemSpider 2D Image | N~6~-[(Benzyloxy)carbonyl]-N-[2-(3,4-dihydroxyphenyl)ethyl]-N~2~-(2,4,6-trihydroxybenzoyl)-L-lysinamide | C29H33N3O9

N6-[(Benzyloxy)carbonyl]-N-[2-(3,4-dihydroxyphenyl)ethyl]-N2-(2,4,6-trihydroxybenzoyl)-L-lysinamide

  • Molecular FormulaC29H33N3O9
  • Average mass567.587 Da
  • Monoisotopic mass567.221680 Da
  • ChemSpider ID440726

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Carbamic acid, N-[(5S)-6-[[2-(3,4-dihydroxyphenyl)ethyl]amino]-6-oxo-5-[(2,4,6-trihydroxybenzoyl)amino]hexyl]-, phenylmethyl ester [ACD/Index Name]
N6-[(Benzyloxy)carbonyl]-N-[2-(3,4-dihydroxyphenyl)ethyl]-N2-(2,4,6-trihydroxybenzoyl)-L-lysinamid [German] [ACD/IUPAC Name]
N6-[(Benzyloxy)carbonyl]-N-[2-(3,4-dihydroxyphenyl)ethyl]-N2-(2,4,6-trihydroxybenzoyl)-L-lysinamide [ACD/IUPAC Name]
N6-[(Benzyloxy)carbonyl]-N-[2-(3,4-dihydroxyphényl)éthyl]-N2-(2,4,6-trihydroxybenzoyl)-L-lysinamide [French] [ACD/IUPAC Name]
N-[N-α-(2,4,6-Trihydroxybenzoyl)-N-ε-benzyloxycarbonyl-L-lysyl]dopamine

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

AIDS167909 [DBID]
AIDS-167909 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 949.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.0±3.0 kJ/mol
Flash Point: 528.2±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.91
ACD/KOC (pH 5.5): 1495.83
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 131.65
ACD/KOC (pH 7.4): 1026.17
Polar Surface Area: 198 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 410.5±3.0 cm3

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