ChemSpider 2D Image | Methyl N-[2-({N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl}amino)benzoyl]-D-tryptophanate | C39H38N4O6

Methyl N-[2-({N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl}amino)benzoyl]-D-tryptophanate

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID9017350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Tryptophan, N-[2-[[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methyl-1-oxobutyl]amino]benzoyl]-, methyl ester [ACD/Index Name]
Methyl N-[2-({N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl}amino)benzoyl]-D-tryptophanate [ACD/IUPAC Name]
Methyl-N-[2-({N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl}amino)benzoyl]-D-tryptophanat [German] [ACD/IUPAC Name]
N-[2-({N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-L-valyl}amino)benzoyl]-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: 925.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 513.2±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 186.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 116960.55
ACD/KOC (pH 5.5): 147665.20
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 116778.47
ACD/KOC (pH 7.4): 147435.31
Polar Surface Area: 139 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 509.3±3.0 cm3

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