ChemSpider 2D Image | (1Z,8aR,11aS,11bR,11cS)-1-(Benzylimino)-6-ethyl-11c-methyl-3,9,11-trioxo-10-phenyl-8,8a,9,10,11,11a,11b,11c-octahydro-1H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinolin-5-yl diethylcarbamate | C34H36N4O6

(1Z,8aR,11aS,11bR,11cS)-1-(Benzylimino)-6-ethyl-11c-methyl-3,9,11-trioxo-10-phenyl-8,8a,9,10,11,11a,11b,11c-octahydro-1H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinolin-5-yl diethylcarbamate

  • Molecular FormulaC34H36N4O6
  • Average mass596.673 Da
  • Monoisotopic mass596.263489 Da
  • ChemSpider ID10123254

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1Z,8aR,11aS,11bR,11cS)-1-(Benzylimino)-6-ethyl-11c-methyl-3,9,11-trioxo-10-phenyl-8,8a,9,10,11,11a,11b,11c-octahydro-1H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isochinolin-5-yl-diethylcarbamat [German] [ACD/IUPAC Name]
(1Z,8aR,11aS,11bR,11cS)-1-(Benzylimino)-6-ethyl-11c-methyl-3,9,11-trioxo-10-phenyl-8,8a,9,10,11,11a,11b,11c-octahydro-1H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinolin-5-yl diethylcarbamate [ACD/IUPAC Name]
Carbamic acid, N,N-diethyl-, (1Z,8aR,11aS,11bR,11cS)-6-ethyl-8,8a,9,10,11,11a,11b,11c-octahydro-11c-methyl-3,9,11-trioxo-10-phenyl-1-[(phenylmethyl)imino]-1H,3H-oxazolo[4,3-a]pyrrolo[3,4-h]isoquinolin -5-yl ester [ACD/Index Name]
Diéthylcarbamate de (1Z,8aR,11aS,11bR,11cS)-1-(benzylimino)-6-éthyl-11c-méthyl-3,9,11-trioxo-10-phényl-8,8a,9,10,11,11a,11b,11c-octahydro-1H-[1,3]oxazolo[4,3-a]pyrrolo[3,4-h]isoquinoléin-5-yle [French] [ACD/IUPAC Name]

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

SDCCGMLS-0091736.P001 [DBID]
UPCMLD11ADMT004126:001 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.2±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 164.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5614.85
ACD/KOC (pH 5.5): 16701.31
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5733.66
ACD/KOC (pH 7.4): 17054.71
Polar Surface Area: 109 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 448.8±7.0 cm3

Click to predict properties on the Chemicalize site


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