ChemSpider 2D Image | N-(6-Hydroxy-4-methyl-2-{[1-(2-methyldecanoyl)prolyl]amino}-8-oxodecanoyl)alanyl-2-methylalanylisoleucylvalyl-2-methylalanyl-N-{1-[(2-hydroxyethyl)amino]-2-propanyl}-2-methylalaninamide | C58H106N10O12

N-(6-Hydroxy-4-methyl-2-{[1-(2-methyldecanoyl)prolyl]amino}-8-oxodecanoyl)alanyl-2-methylalanylisoleucylvalyl-2-methylalanyl-N-{1-[(2-hydroxyethyl)amino]-2-propanyl}-2-methylalaninamide

  • Molecular FormulaC58H106N10O12
  • Average mass1135.522 Da
  • Monoisotopic mass1134.799194 Da
  • ChemSpider ID78444825

More details:

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

Alaninamide, N-[6-hydroxy-4-methyl-2-[[[1-(2-methyl-1-oxodecyl)-2-pyrrolidinyl]carbonyl]amino]-1,8-dioxodecyl]alanyl-2-methylalanylisoleucylvalyl-2-methylalanyl-N-[2-[(2-hydroxyethyl)amino]-1-methylet hyl]-2-methyl- [ACD/Index Name]
N-(6-Hydroxy-4-methyl-2-{[1-(2-methyldecanoyl)prolyl]amino}-8-oxodecanoyl)alanyl-2-methylalanylisoleucylvalyl-2-methylalanyl-N-{1-[(2-hydroxyethyl)amino]-2-propanyl}-2-methylalaninamid [German] [ACD/IUPAC Name]
N-(6-Hydroxy-4-methyl-2-{[1-(2-methyldecanoyl)prolyl]amino}-8-oxodecanoyl)alanyl-2-methylalanylisoleucylvalyl-2-methylalanyl-N-{1-[(2-hydroxyethyl)amino]-2-propanyl}-2-methylalaninamide [ACD/IUPAC Name]
N-(6-Hydroxy-4-méthyl-2-{[1-(2-méthyldecanoyl)prolyl]amino}-8-oxodecanoyl)alanyl-2-méthylalanylisoleucylvalyl-2-méthylalanyl-N-{1-[(2-hydroxyéthyl)amino]-2-propanyl}-2-méthylalaninamide [French] [ACD/IUPAC Name]
Roseoferin B2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1341.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 227.7±6.0 kJ/mol
Flash Point: 765.0±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 307.2±0.3 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 5.98
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 37.89
ACD/KOC (pH 7.4): 193.04
Polar Surface Area: 323 Å2
Polarizability: 121.8±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 1022.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement