ChemSpider 2D Image | (5R,9R,13R,17R)-19-Isopropyl-15-(4-methoxyphenyl)-5,9-dimethyl-14,16-dioxo-15-azapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]nonadec-18-ene-5-carboxylic acid | C31H39NO5

(5R,9R,13R,17R)-19-Isopropyl-15-(4-methoxyphenyl)-5,9-dimethyl-14,16-dioxo-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID17462286

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(5R,9R,13R,17R)-19-Isopropyl-15-(4-methoxyphenyl)-5,9-dimethyl-14,16-dioxo-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-en-5-carbonsäure [German] [ACD/IUPAC Name]
(5R,9R,13R,17R)-19-Isopropyl-15-(4-methoxyphenyl)-5,9-dimethyl-14,16-dioxo-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid [ACD/IUPAC Name]
3b,11-Etheno-3bH-naphth[2,1-e]isoindole-6-carboxylic acid, 1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-2-(4-methoxyphenyl)-6,9a-dimethyl-12-(1-methylethyl)-1,3-dioxo-, (3aR,6R,9aR,11aR)- [ACD/Index Name]
Acide (5R,9R,13R,17R)-19-isopropyl-15-(4-méthoxyphényl)-5,9-diméthyl-14,16-dioxo-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadéc-18-ène-5-carboxylique [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: 702.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 1804.65
ACD/KOC (pH 5.5): 4182.08
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 28.50
ACD/KOC (pH 7.4): 66.05
Polar Surface Area: 84 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 400.9±5.0 cm3

Click to predict properties on the Chemicalize site


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