ChemSpider 2D Image | Methyl L-leucyl-L-prolyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinate | C30H51N3O4S

Methyl L-leucyl-L-prolyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinate

  • Molecular FormulaC30H51N3O4S
  • Average mass549.809 Da
  • Monoisotopic mass549.360046 Da
  • ChemSpider ID9083005

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Cysteine, L-leucyl-L-prolyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-, methyl ester [ACD/Index Name]
L-Leucyl-L-prolyl-S-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-L-cystéinate de méthyle [French] [ACD/IUPAC Name]
Methyl L-leucyl-L-prolyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinate [ACD/IUPAC Name]
Methyl-L-leucyl-L-prolyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.6±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 158.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 40.24
ACD/KOC (pH 5.5): 76.12
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 1372.89
ACD/KOC (pH 7.4): 2597.33
Polar Surface Area: 127 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 516.7±3.0 cm3

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