ChemSpider 2D Image | [(1R,16S,18S,19S,21R,24S,26R,27R)-3,14-Dimethoxy-18,27-dimethyldecacyclo[14.12.1.1~19,26~.1~21,24~.0~2,15~.0~4,13~.0~6,11~.0~17,28~.0~18,27~.0~20,25~]hentriaconta-2,4,6,8,10,12,14-heptaen-31-ylidene]m alononitrile | C38H36N2O2

[(1R,16S,18S,19S,21R,24S,26R,27R)-3,14-Dimethoxy-18,27-dimethyldecacyclo[14.12.1.119,26.121,24.02,15.04,13.06,11.017,28.018,27.020,25]hentriaconta-2,4,6,8,10,12,14-heptaen-31-ylidene]m alononitrile

  • Molecular FormulaC38H36N2O2
  • Average mass552.705 Da
  • Monoisotopic mass552.277649 Da
  • ChemSpider ID8568306

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

[(1R,16S,18S,19S,21R,24S,26R,27R)-3,14-Dimethoxy-18,27-dimethyldecacyclo[14.12.1.119,26.121,24.02,15.04,13.06,11.017,28.018,27.020,25]hentriaconta-2,4,6,8,10,12,14-heptaen-31-yliden]ma 
lononitril [German] [ACD/IUPAC Name]
[(1R,16S,18S,19S,21R,24S,26R,27R)-3,14-Dimethoxy-18,27-dimethyldecacyclo[14.12.1.119,26.121,24.02,15.04,13.06,11.017,28.018,27.020,25]hentriaconta-2,4,6,8,10,12,14-heptaen-31-ylidene]m 
alononitrile [ACD/IUPAC Name]
[(1R,16S,18S,19S,21R,24S,26R,27R)-3,14-Diméthoxy-18,27-diméthyldécacyclo[14.12.1.119,26.121,24.02,15.04,13.06,11.017,28.018,27.020,25]héntriaconta-2,4,6,8,10,12,14-heptaén-31-ylidène]m 
alononitrile [French] [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: 1.687
Molar Refractivity: 162.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.90
ACD/LogD (pH 5.5): 8.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1047825.44
ACD/LogD (pH 7.4): 8.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1047825.44
Polar Surface Area: 66 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 427.4±3.0 cm3

Click to predict properties on the Chemicalize site


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