ChemSpider 2D Image | 1-{[2-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-2-methylpropyl]amino}-3-methyl-1-oxo-2-butanaminium | C31H53N2O5S

1-{[2-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-2-methylpropyl]amino}-3-methyl-1-oxo-2-butanaminium

  • Molecular FormulaC31H53N2O5S
  • Average mass565.827 Da
  • Monoisotopic mass565.366943 Da
  • ChemSpider ID21433355

  • Charge - Charge

More details:

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

1-{[2-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-2-methylpropyl]amino}-3-methyl-1-oxo-2-butanaminium [ACD/IUPAC Name]
1-{[2-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-2-methylpropyl]amino}-3-methyl-1-oxo-2-butanaminium [German] [ACD/IUPAC Name]
1-{[2-({2-[(3-Hydroxy-2,4,7,14-tétraméthyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tétradéc-6-yl)oxy]-2-oxoéthyl}sulfanyl)-2-méthylpropyl]amino}-3-méthyl-1-oxo-2-butanaminium [French] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-1,1-dimethylethyl]thio]-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, conjugate mo noacid [ACD/Index Name]

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

Density:
Boiling Point: 672.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 360.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 10.32
ACD/KOC (pH 5.5): 39.94
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 524.24
ACD/KOC (pH 7.4): 2029.70
Polar Surface Area: 146 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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