ChemSpider 2D Image | 2,7,11-Triamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,4-bis(2-amino-3-methylpentanoyl)-4-methyl-6-oxo-3-(2-pyrrolidinylcarbonyl)undecanoic acid | C38H63N7O8

2,7,11-Triamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,4-bis(2-amino-3-methylpentanoyl)-4-methyl-6-oxo-3-(2-pyrrolidinylcarbonyl)undecanoic acid

  • Molecular FormulaC38H63N7O8
  • Average mass745.949 Da
  • Monoisotopic mass745.473816 Da
  • ChemSpider ID2291117

More details:

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

2,7,11-Triamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,4-bis(2-amino-3-methylpentanoyl)-4-methyl-6-oxo-3-(2-pyrrolidinylcarbonyl)undecanoic acid [ACD/IUPAC Name]
2,7,11-Triamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,4-bis(2-amino-3-methylpentanoyl)-4-methyl-6-oxo-3-(2-pyrrolidinylcarbonyl)undecansäure [German] [ACD/IUPAC Name]
2,7,11-Triamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2,4-bis(2-amino-3-methylpentanoyl)-4-methyl-6-oxo-3-(pyrrolidin-2-ylcarbonyl)undecanoic acid
2-Pyrrolidinebutanoic acid, α-amino-β-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-α-(2-amino-3-methyl-1-oxopentyl)-β-[4,8-diamino-1-(2-amino-3-methyl-1-oxopentyl)-1-methyl-3-oxooctyl]-gamm ; a-oxo- [ACD/Index Name]
2-pyrrolidinebutanoic acid, α-amino-β-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-α-(2-amino-3-methyl-1-oxopentyl)-β-[4,8-diamino-1-(2-amino-3-methyl-1-oxopentyl)-1-methyl-3-oxooctyl]-γ-oxo-
Acide 2,7,11-triamino-3-[2-amino-3-(4-hydroxyphényl)propanoyl]-2,4-bis(2-amino-3-méthylpentanoyl)-4-méthyl-6-oxo-3-(2-pyrrolidinylcarbonyl)undécanoïque [French] [ACD/IUPAC Name]
102577-25-3 [RN]
Neuromedin N [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 958.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.2±3.0 kJ/mol
Flash Point: 533.4±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 200.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 15
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 4
ACD/LogP: 14.48
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 325.14
ACD/KOC (pH 7.4): 221.96
Polar Surface Area: 311 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 611.9±3.0 cm3

Click to predict properties on the Chemicalize site


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