ChemSpider 2D Image | IN00336 | C40H48N4O3

IN00336

  • Molecular FormulaC40H48N4O3
  • Average mass632.834 Da
  • Monoisotopic mass632.372620 Da
  • ChemSpider ID64870726

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R)-[(2R,12bR)-3-Éthylidène-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl][(1S,9R,12R,13R,14R,19R,21R)-14-éthyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hénicosa-2 
,4,6-trién-9-yl]acétate de méthyle [French] [ACD/IUPAC Name]
12H-1,12-Ethano-9H,11H-[1,3]oxazino[3,4,5-lm]pyrrolo[2,3-d]carbazole-9-acetic acid, 14-ethyl-α-[(2R,12bR)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-2,3,11a,11b,13,13a- hexahydro-, methyl ester, (αR,3aS,9R,11aR,11bR,12R,13aR,14R)- [ACD/Index Name]
IN00336
Methyl (2R)-[(2R,12bR)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl][(1S,9R,12R,13R,14R,19R,21R)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hen icosa-2,4,6-trien-9-yl]acetate [ACD/IUPAC Name]
Methyl-(2R)-[(2R,12bR)-3-ethyliden-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-2-yl][(1S,9R,12R,13R,14R,19R,21R)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]heni cosa-2,4,6-trien-9-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 63.37
ACD/KOC (pH 7.4): 147.28
Polar Surface Area: 61 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 478.1±5.0 cm3

Click to predict properties on the Chemicalize site


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