ChemSpider 2D Image | Methyl N~2~-[(2S,3S,4E,6E,8S,9S)-3-acetamido-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl]-N,N-dimethyl-D-glutaminate | C30H45N3O6

Methyl N2-[(2S,3S,4E,6E,8S,9S)-3-acetamido-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl]-N,N-dimethyl-D-glutaminate

  • Molecular FormulaC30H45N3O6
  • Average mass543.695 Da
  • Monoisotopic mass543.330811 Da
  • ChemSpider ID23185688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

D-Glutamine, N2-[(2S,3S,4E,6E,8S,9S)-3-(acetylamino)-9-methoxy-2,6,8-trimethyl-1-oxo-10-phenyl-4,6-decadien-1-yl]-N,N-dimethyl-, methyl ester [ACD/Index Name]
methyl N2-[(2S,3S,4E,6E,8S,9S)-3-(acetylamino)-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]-N,N-dimethyl-D-glutaminate
Methyl N2-[(2S,3S,4E,6E,8S,9S)-3-acetamido-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl]-N,N-dimethyl-D-glutaminate [ACD/IUPAC Name]
Methyl-N2-[(2S,3S,4E,6E,8S,9S)-3-acetamido-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl]-N,N-dimethyl-D-glutaminat [German] [ACD/IUPAC Name]
N2-[(2S,3S,4E,6E,8S,9S)-3-Acétamido-9-méthoxy-2,6,8-triméthyl-10-phényl-4,6-decadienoyl]-N,N-diméthyl-D-glutaminate de méthyle [French] [ACD/IUPAC Name]
(R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoylamino)-4-dimethylcarbamoyl-butyric acid methyl ester
CHEMBL327726
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL327726/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 742.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.6±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.98
ACD/KOC (pH 5.5): 1071.10
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.98
ACD/KOC (pH 7.4): 1071.10
Polar Surface Area: 114 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 500.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement