Found 17 results

Search term: MF = 'C_{29}H_{38}N_{2}O_{9}S'
ChemSpider 2D Image | Methyl N-[(5S)-6-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3-(phenylsulfonyl)heptanoyl]tyrosinate | C29H38N2O9S

Methyl N-[(5S)-6-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3-(phenylsulfonyl)heptanoyl]tyrosinate

  • Molecular FormulaC29H38N2O9S
  • Average mass590.685 Da
  • Monoisotopic mass590.229797 Da
  • ChemSpider ID73979048

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Methyl N-[(5S)-6-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3-(phenylsulfonyl)heptanoyl]tyrosinate [ACD/IUPAC Name]
Methyl-N-[(5S)-6-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3-(phenylsulfonyl)heptanoyl]tyrosinat [German] [ACD/IUPAC Name]
N-[(5S)-6-Méthyl-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-3-(phénylsulfonyl)heptanoyl]tyrosinate de méthyle [French] [ACD/IUPAC Name]
Tyrosine, N-[(5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methyl-1,4-dioxo-3-(phenylsulfonyl)heptyl]-, methyl ester [ACD/Index 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: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.80
ACD/KOC (pH 5.5): 1018.28
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.24
ACD/KOC (pH 7.4): 1013.24
Polar Surface Area: 174 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 474.8±3.0 cm3

Click to predict properties on the Chemicalize site


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