ChemSpider 2D Image | Daphnezomine E | C32H49NO6

Daphnezomine E

  • Molecular FormulaC32H49NO6
  • Average mass543.735 Da
  • Monoisotopic mass543.356018 Da
  • ChemSpider ID8729928

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(2S)-1-[(1R,4R,5S)-1,4-Dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(1S,2R,3S,7R,10S,13S,14R)-14-isopropyl-1-methyl-12-oxido-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadec-2-yl]-1-oxo-2-propany 
l acetate [ACD/IUPAC Name]
(2S)-1-[(1R,4R,5S)-1,4-Dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(1S,2R,3S,7R,10S,13S,14R)-14-isopropyl-1-methyl-12-oxido-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadec-2-yl]-1-oxo-2-propany 
l-acetat [German] [ACD/IUPAC Name]
1-Propanone, 2-(acetyloxy)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,6S,6aS,9R,10S,10aR,10bS)-dodecahydro-6a-methyl-9-(1-methylethyl)-11-oxido-10aH-3a,10,6-(azanetriylmethano )benz[e]azulen-10a-yl]-, (2S)- [ACD/Index Name]
Acétate de (2S)-1-[(1R,4R,5S)-1,4-diméthyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(1S,2R,3S,7R,10S,13S,14R)-14-isopropyl-1-méthyl-12-oxydo-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadéc-2-yl]-1-ox o-2-propanyle [French] [ACD/IUPAC Name]
Daphnezomine E

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1388.48
ACD/KOC (pH 5.5): 5355.64
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2279.72
ACD/KOC (pH 7.4): 8793.31
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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