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Search term: 62277930 (Found by CSID)
ChemSpider 2D Image | eutypellazine E | C20H22N2O5S2

eutypellazine E

  • Molecular FormulaC20H22N2O5S2
  • Average mass434.529 Da
  • Monoisotopic mass434.097015 Da
  • ChemSpider ID62277930

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4S,4aS,6aR,11S,11aS,13aR,14aS)-4,11-Dihydroxy-6a,13a-bis(methylsulfanyl)-4a,6a,7,11,11a,13a,14,14a-octahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indol-1,6,13(4H)-trion [German] [ACD/IUPAC Name]
(4S,4aS,6aR,11S,11aS,13aR,14aS)-4,11-Dihydroxy-6a,13a-bis(methylsulfanyl)-4a,6a,7,11,11a,13a,14,14a-octahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-1,6,13(4H)-trione [ACD/IUPAC Name]
(4S,4aS,6aR,11S,11aS,13aR,14aS)-4,11-Dihydroxy-6a,13a-bis(méthylsulfanyl)-4a,6a,7,11,11a,13a,14,14a-octahydro-1H,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-1,6,13(4H)-trione [French] [ACD/IUPAC Name]
1H,6H-Pyrazino[1,2-a:4,5-a']diindole-1,6,13(4H)-trione, 4a,6a,7,11,11a,13a,14,14a-octahydro-4,11-dihydroxy-6a,13a-bis(methylthio)-, (4S,4aS,6aR,11S,11aS,13aR,14aS)- [ACD/Index Name]
eutypellazine E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 783.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.0±6.0 kJ/mol
Flash Point: 427.9±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.25
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.25
Polar Surface Area: 149 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 273.0±5.0 cm3

Click to predict properties on the Chemicalize site


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