Found 52 results

Search term: MF = 'C_{38}H_{36}N_{2}O_{5}'
ChemSpider 2D Image | (3aS,6R,6aS,9aR,10aS,10bR)-6-(3-Allyl-2-hydroxyphenyl)-2-(4-ethylphenyl)-6a-methyl-8-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone | C38H36N2O5

(3aS,6R,6aS,9aR,10aS,10bR)-6-(3-Allyl-2-hydroxyphenyl)-2-(4-ethylphenyl)-6a-methyl-8-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

  • Molecular FormulaC38H36N2O5
  • Average mass600.703 Da
  • Monoisotopic mass600.262451 Da
  • ChemSpider ID5089240

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,6R,6aS,9aR,10aS,10bR)-6-(3-Allyl-2-hydroxyphenyl)-2-(4-ethylphenyl)-6a-methyl-8-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-1,3,7,9(2H,8H)-tetron [German] [ACD/IUPAC Name]
(3aS,6R,6aS,9aR,10aS,10bR)-6-(3-Allyl-2-hydroxyphenyl)-2-(4-ethylphenyl)-6a-methyl-8-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone [ACD/IUPAC Name]
(3aS,6R,6aS,9aR,10aS,10bR)-6-(3-Allyl-2-hydroxyphényl)-2-(4-éthylphényl)-6a-méthyl-8-phényl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tétrone [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone, 2-(4-ethylphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydro-6-[2-hydroxy-3-(2-propen-1-yl)phenyl]-6a-methyl-8-phenyl-, (3aS,6R,6aS,9aR,10aS,10bR)- [ACD/Index Name]
DAP1_020135

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 451.5±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7638.12
ACD/KOC (pH 5.5): 20942.53
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7623.94
ACD/KOC (pH 7.4): 20903.64
Polar Surface Area: 95 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 445.7±5.0 cm3

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