ChemSpider 2D Image | (1R,10R,12S,13S,14S,16R,18R)-13-Formyl-14-methyl-8,15-diazahexacyclo[14.2.1.0~1,9~.0~2,7~.0~10,15~.0~12,17~]nonadeca-2,4,6,8-tetraen-18-yl acetate | C21H22N2O3

(1R,10R,12S,13S,14S,16R,18R)-13-Formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl acetate

  • Molecular FormulaC21H22N2O3
  • Average mass350.411 Da
  • Monoisotopic mass350.163055 Da
  • ChemSpider ID113611570

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,10R,12S,13S,14S,16R,18R)-13-Formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl acetate [ACD/IUPAC Name]
(1R,10R,12S,13S,14S,16R,18R)-13-Formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl-acetat [German] [ACD/IUPAC Name]
6H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine-9-carboxaldehyde, 13-(acetyloxy)-8,9,10,11,11a,12-hexahydro-8-methyl-, (6R,8S,9S,10S,11aR,12aR,13R)- [ACD/Index Name]
Acétate de (1R,10R,12S,13S,14S,16R,18R)-13-formyl-14-méthyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadéca-2,4,6,8-tétraén-18-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 492.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.9±28.7 °C
Index of Refraction: 1.805
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 89.87
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 155.05
Polar Surface Area: 59 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 219.6±7.0 cm3

Click to predict properties on the Chemicalize site


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