ChemSpider 2D Image | N~6~-[6-(7H-Purin-6-ylamino)hexanoyl]-L-lysyl-N-(4-aminobutyl)glycyl-N-[2-(1H-indol-3-yl)ethyl]glycyl-N-isobutylglycyl-N-isobutylglycyl-N-[(1S)-1-phenylethyl]glycyl-N-(4-aminobutyl)glycyl-N~2~-(4-amin obutyl)glycinamide | C69H109N19O9

N6-[6-(7H-Purin-6-ylamino)hexanoyl]-L-lysyl-N-(4-aminobutyl)glycyl-N-[2-(1H-indol-3-yl)ethyl]glycyl-N-isobutylglycyl-N-isobutylglycyl-N-[(1S)-1-phenylethyl]glycyl-N-(4-aminobutyl)glycyl-N2-(4-amin obutyl)glycinamide

  • Molecular FormulaC69H109N19O9
  • Average mass1348.726 Da
  • Monoisotopic mass1347.865601 Da
  • ChemSpider ID20567497

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycinamide, N6-[1-oxo-6-(7H-purin-6-ylamino)hexyl]-L-lysyl-N-(4-aminobutyl)glycyl-N-[2-(1H-indol-3-yl)ethyl]glycyl-N-(2-methylpropyl)glycyl-N-(2-methylpropyl)glycyl-N-[(1S)-1-phenylethyl]glycyl-N-( 
4-aminobutyl)glycyl-N2-(4-aminobutyl)- [ACD/Index Name]
N6-[6-(7H-Purin-6-ylamino)hexanoyl]-L-lysyl-N-(4-aminobutyl)glycyl-N-[2-(1H-indol-3-yl)ethyl]glycyl-N-isobutylglycyl-N-isobutylglycyl-N-[(1S)-1-phenylethyl]glycyl-N-(4-aminobutyl)glycyl-N2-(4-amin obutyl)glycinamid [German] [ACD/IUPAC Name]
N6-[6-(7H-Purin-6-ylamino)hexanoyl]-L-lysyl-N-(4-aminobutyl)glycyl-N-[2-(1H-indol-3-yl)ethyl]glycyl-N-isobutylglycyl-N-isobutylglycyl-N-[(1S)-1-phenylethyl]glycyl-N-(4-aminobutyl)glycyl-N2-(4-amin obutyl)glycinamide [ACD/IUPAC Name]
N6-[6-(7H-Purin-6-ylamino)hexanoyl]-L-lysyl-N-(4-aminobutyl)glycyl-N-[2-(1H-indol-3-yl)éthyl]glycyl-N-isobutylglycyl-N-isobutylglycyl-N-[(1S)-1-phényléthyl]glycyl-N-(4-aminobutyl)glycyl-N2-(4-amin obutyl)glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1440.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 221.6±3.0 kJ/mol
Flash Point: 825.2±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 378.1±0.3 cm3
#H bond acceptors: 28
#H bond donors: 14
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 3
ACD/LogP: 3.18
ACD/LogD (pH 5.5): -5.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 401 Å2
Polarizability: 149.9±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 1097.6±3.0 cm3

Click to predict properties on the Chemicalize site


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