ChemSpider 2D Image | segetalin D | C37H49N7O8

segetalin D

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID10320442

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Cyclo(L-alanyl-L-phenylalanyl-L-prolylglycyl-L-leucyl-L-seryl-L-phenylalanyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alanyl-L-phenylalanyl-L-prolylglycyl-L-leucyl-L-seryl-L-phenylalanyl) [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alanyl-L-phénylalanyl-L-prolylglycyl-L-leucyl-L-séryl-L-phénylalanyl) [French] [ACD/IUPAC Name]
segetalin D
(5S,8S,11S,14S,17S,22aS)-5,11-dibenzyl-14-hydroxymethyl-17-isobutyl-8-methyl-hexadecahydro-3a,6,9,12,15,18,21-heptaaza-cyclopentacyclohenicosene-4,7,10,13,16,19,22-heptaone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1168.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.9±3.0 kJ/mol
Flash Point: 660.3±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 191.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.11
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.24
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.24
Polar Surface Area: 215 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 547.2±5.0 cm3

Click to predict properties on the Chemicalize site


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