ChemSpider 2D Image | (15R,17R)-10-Methoxy-4-methyl-12-oxa-4-azahexacyclo[9.7.1.0~1,13~.0~5,18~.0~7,19~.0~15,17~]nonadeca-7(19),8,10-trien-14-one | C19H21NO3

(15R,17R)-10-Methoxy-4-methyl-12-oxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-one

  • Molecular FormulaC19H21NO3
  • Average mass311.375 Da
  • Monoisotopic mass311.152130 Da
  • ChemSpider ID23113066

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(15R,17R)-10-Methoxy-4-methyl-12-oxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-on [German] [ACD/IUPAC Name]
(15R,17R)-10-Methoxy-4-methyl-12-oxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-one [ACD/IUPAC Name]
(15R,17R)-10-Méthoxy-4-méthyl-12-oxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadéca-7(19),8,10-trién-14-one [French] [ACD/IUPAC Name]
1,5-Methanobenzofuro[3,2-e]cycloprop[h]isoquinolin-10(9aH)-one, 1,2,3,4,10a,11,11a,11b-octahydro-8-methoxy-2-methyl-, (10aR,11aR)- [ACD/Index Name]
(10aR,11aR)-8-methoxy-2-methyl-1,2,3,4,10a,11,11a,11b-octahydro-1,5-methano[1]benzofuro[3,2-e]cyclopropa[h]isoquinolin-10(9aH)-one
10-methoxy-4-methyl-(13R)-12-oxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 478.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 242.9±28.7 °C
Index of Refraction: 1.663
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 16.95
Polar Surface Area: 39 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 226.9±5.0 cm3

Click to predict properties on the Chemicalize site


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