ChemSpider 2D Image | N-(10-Methylundecanoyl)threonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl]alaninamide | C40H65N11O12

N-(10-Methylundecanoyl)threonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl]alaninamide

  • Molecular FormulaC40H65N11O12
  • Average mass892.011 Da
  • Monoisotopic mass891.481445 Da
  • ChemSpider ID78444408

More details:

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

Alaninamide, N-(10-methyl-1-oxoundecyl)threonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]- [ACD/Index Name]
N-(10-Methylundecanoyl)threonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl]alaninamid [German] [ACD/IUPAC Name]
N-(10-Methylundecanoyl)threonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl]alaninamide [ACD/IUPAC Name]
N-(10-Méthylundecanoyl)thréonylglycyl-N-[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylméthyl)-2,5,8,11-tétraoxo-1-oxa-4,7,10-triazacyclotridécan-12-yl]alaninamide [French] [ACD/IUPAC Name]
Kurstakin 3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1464.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 235.2±3.0 kJ/mol
Flash Point: 839.5±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 224.8±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -3.13
ACD/LogD (pH 5.5): -4.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 365 Å2
Polarizability: 89.1±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 677.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement