ChemSpider 2D Image | (1R,2R,5R,7R,8R,9R,13R,16S,17R)-11-Ethyl-7,16-dihydroxy-13-methyl-6-methylene-11-azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]nonadecan-4-one | C22H31NO3

(1R,2R,5R,7R,8R,9R,13R,16S,17R)-11-Ethyl-7,16-dihydroxy-13-methyl-6-methylene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

  • Molecular FormulaC22H31NO3
  • Average mass357.486 Da
  • Monoisotopic mass357.230408 Da
  • ChemSpider ID28643569
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1R,2R,5R,7R,8R,9R,13R,16S,17R)-11-Ethyl-7,16-dihydroxy-13-methyl-6-methylen-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-on [German] [ACD/IUPAC Name]
(1R,2R,5R,7R,8R,9R,13R,16S,17R)-11-Ethyl-7,16-dihydroxy-13-methyl-6-methylene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one [ACD/IUPAC Name]
(1R,2R,5R,7R,8R,9R,13R,16S,17R)-11-Éthyl-7,16-dihydroxy-13-méthyl-6-méthylène-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadécan-4-one [French] [ACD/IUPAC Name]
509-24-0 [RN]
songorine

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

64E5D8C741 [DBID]
UNII:64E5D8C741 [DBID]
UNII-64E5D8C741 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 61 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 275.9±5.0 cm3

Click to predict properties on the Chemicalize site






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