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Search term: 71048485 (Found by CSID)
ChemSpider 2D Image | N~2~-[2-Methyl-3-({beta-methyl-N-[(2E,4E)-4-methyl-2,4-hexadienoyl]phenylalanyl}oxy)butanoyl]glutamine | C27H37N3O7

N2-[2-Methyl-3-({β-methyl-N-[(2E,4E)-4-methyl-2,4-hexadienoyl]phenylalanyl}oxy)butanoyl]glutamine

  • Molecular FormulaC27H37N3O7
  • Average mass515.599 Da
  • Monoisotopic mass515.263123 Da
  • ChemSpider ID71048485

  • Double-bond stereo - Double-bond stereo

More details:

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

Glutamine, N2-[2-methyl-3-[2-[[(2E,4E)-4-methyl-1-oxo-2,4-hexadien-1-yl]amino]-1-oxo-3-phenylbutoxy]-1-oxobutyl]- [ACD/Index Name]
N2-[2-Methyl-3-({β-methyl-N-[(2E,4E)-4-methyl-2,4-hexadienoyl]phenylalanyl}oxy)butanoyl]glutamin [German] [ACD/IUPAC Name]
N2-[2-Methyl-3-({β-methyl-N-[(2E,4E)-4-methyl-2,4-hexadienoyl]phenylalanyl}oxy)butanoyl]glutamine [ACD/IUPAC Name]
N2-[2-Méthyl-3-({β-méthyl-N-[(2E,4E)-4-méthyl-2,4-hexadienoyl]phénylalanyl}oxy)butanoyl]glutamine [French] [ACD/IUPAC Name]
Jomthonic acid D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 838.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 460.8±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 435.9±3.0 cm3

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