ChemSpider 2D Image | Methyl N-{[(2S,3S,6S)-2-(allyloxy)-6-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]methyl}-3,6-dihydro-2H-pyran-3-yl]acetyl}-L-phenylalanyl-L-methioninate | C40H54N4O10S

Methyl N-{[(2S,3S,6S)-2-(allyloxy)-6-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]methyl}-3,6-dihydro-2H-pyran-3-yl]acetyl}-L-phenylalanyl-L-methioninate

  • Molecular FormulaC40H54N4O10S
  • Average mass782.943 Da
  • Monoisotopic mass782.356079 Da
  • ChemSpider ID9609107

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Methionine, N-[2-[(2S,3S,6S)-6-[[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]methyl]-3,6-dihydro-2-(2-propen-1-yloxy)-2H-pyran-3-yl]acetyl]-L-phenylalanyl-, m ethyl ester [ACD/Index Name]
Methyl N-{[(2S,3S,6S)-2-(allyloxy)-6-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]methyl}-3,6-dihydro-2H-pyran-3-yl]acetyl}-L-phenylalanyl-L-methioninate [ACD/IUPAC Name]
Methyl-N-{[(2S,3S,6S)-2-(allyloxy)-6-{[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]methyl}-3,6-dihydro-2H-pyran-3-yl]acetyl}-L-phenylalanyl-L-methioninat [German] [ACD/IUPAC Name]
N-{2-[(2S,3S,6S)-2-(Allyloxy)-6-{[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]méthyl}-3,6-dihydro-2H-pyran-3-yl]acétyl}-L-phénylalanyl-L-méthioninate 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: 1002.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.3±3.0 kJ/mol
Flash Point: 560.2±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 210.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 778.70
ACD/KOC (pH 5.5): 4082.80
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 775.58
ACD/KOC (pH 7.4): 4066.48
Polar Surface Area: 216 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 624.8±5.0 cm3

Click to predict properties on the Chemicalize site


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