ChemSpider 2D Image | (4R,5R,8R,9R,11R)-2-({[(2R,6R)-4-Cyclopropyl-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylic acid | C28H41NO5

(4R,5R,8R,9R,11R)-2-({[(2R,6R)-4-Cyclopropyl-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

  • Molecular FormulaC28H41NO5
  • Average mass471.629 Da
  • Monoisotopic mass471.298462 Da
  • ChemSpider ID58816890

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(4R,5R,8R,9R,11R)-2-({[(2R,6R)-4-Cyclopropyl-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-en-1-carbonsäure [German] [ACD/IUPAC Name]
(4R,5R,8R,9R,11R)-2-({[(2R,6R)-4-Cyclopropyl-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid [ACD/IUPAC Name]
1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-[[[(2R,6R)-4-cyclopropyl-6-methyl-2-morpholinyl]oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (1R,4R,4aR,7R,7aR)- [ACD/Index Name]
Acide (4R,5R,8R,9R,11R)-2-({[(2R,6R)-4-cyclopropyl-6-méthyl-2-morpholinyl]oxy}méthyl)-9-formyl-13-isopropyl-5-méthyltétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylique [French] [ACD/IUPAC Name]
250243-97-1 [RN]
GW471552

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 304.1±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 17.21
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 6.59
Polar Surface Area: 76 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 383.0±5.0 cm3

Click to predict properties on the Chemicalize site


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