ChemSpider 2D Image | Bis(2-methyl-2-propanyl) N-{4-[({3-[(2,3-dihydroxy-2-methylpropyl)sulfanyl]propanoyl}amino)methyl]benzoyl}-L-glutamate | C28H44N2O8S

Bis(2-methyl-2-propanyl) N-{4-[({3-[(2,3-dihydroxy-2-methylpropyl)sulfanyl]propanoyl}amino)methyl]benzoyl}-L-glutamate

  • Molecular FormulaC28H44N2O8S
  • Average mass568.723 Da
  • Monoisotopic mass568.281860 Da
  • ChemSpider ID8706463

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Bis(2-methyl-2-propanyl) N-{4-[({3-[(2,3-dihydroxy-2-methylpropyl)sulfanyl]propanoyl}amino)methyl]benzoyl}-L-glutamate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-N-{4-[({3-[(2,3-dihydroxy-2-methylpropyl)sulfanyl]propanoyl}amino)methyl]benzoyl}-L-glutamat [German] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[3-[(2,3-dihydroxy-2-methylpropyl)thio]-1-oxopropyl]amino]methyl]benzoyl]-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
N-{4-[({3-[(2,3-Dihydroxy-2-méthylpropyl)sulfanyl]propanoyl}amino)méthyl]benzoyl}-L-glutamate de bis(2-méthyl-2-propanyle) [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: 779.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.3±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.18
ACD/KOC (pH 5.5): 900.72
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.18
ACD/KOC (pH 7.4): 900.71
Polar Surface Area: 177 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 482.1±3.0 cm3

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