Found 37 results

Search term: MF = 'C_{35}H_{42}N_{2}O_{9}'
ChemSpider 2D Image | Methyl N-[(5S)-6-{4-[(4-methoxybenzyl)oxy]phenyl}-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanoyl]-L-tyrosinate | C35H42N2O9

Methyl N-[(5S)-6-{4-[(4-methoxybenzyl)oxy]phenyl}-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanoyl]-L-tyrosinate

  • Molecular FormulaC35H42N2O9
  • Average mass634.716 Da
  • Monoisotopic mass634.289001 Da
  • ChemSpider ID9149440

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tyrosine, N-[(5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[4-[(4-methoxyphenyl)methoxy]phenyl]-1,4-dioxohexyl]-, methyl ester [ACD/Index Name]
Methyl N-[(5S)-6-{4-[(4-methoxybenzyl)oxy]phenyl}-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanoyl]-L-tyrosinate [ACD/IUPAC Name]
Methyl-N-[(5S)-6-{4-[(4-methoxybenzyl)oxy]phenyl}-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanoyl]-L-tyrosinat [German] [ACD/IUPAC Name]
N-[(5S)-6-{4-[(4-Méthoxybenzyl)oxy]phényl}-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanoyl]-L-tyrosinate de méthyle [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: 827.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 454.3±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 170.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3164.81
ACD/KOC (pH 5.5): 11146.43
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3149.66
ACD/KOC (pH 7.4): 11093.08
Polar Surface Area: 149 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 524.3±3.0 cm3

Click to predict properties on the Chemicalize site


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