Found 51 results

Search term: MF = 'C_{27}H_{31}N_{3}O_{9}'
ChemSpider 2D Image | Methyl N-(3,4,5-trimethoxybenzoyl)-L-alpha-glutamyl-D-tryptophanate | C27H31N3O9

Methyl N-(3,4,5-trimethoxybenzoyl)-L-α-glutamyl-D-tryptophanate

  • Molecular FormulaC27H31N3O9
  • Average mass541.550 Da
  • Monoisotopic mass541.206055 Da
  • ChemSpider ID9573518

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Tryptophan, N-(3,4,5-trimethoxybenzoyl)-L-α-glutamyl-, methyl ester [ACD/Index Name]
Methyl N-(3,4,5-trimethoxybenzoyl)-L-α-glutamyl-D-tryptophanate [ACD/IUPAC Name]
Methyl-N-(3,4,5-trimethoxybenzoyl)-L-α-glutamyl-D-tryptophanat [German] [ACD/IUPAC Name]
N-(3,4,5-Triméthoxybenzoyl)-L-α-glutamyl-D-tryptophanate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 430.0±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 23.98
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

Click to predict properties on the Chemicalize site


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