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Search term: 27025490 (Found by CSID)
ChemSpider 2D Image | indosespene | C23H29NO3

indosespene

  • Molecular FormulaC23H29NO3
  • Average mass367.481 Da
  • Monoisotopic mass367.214752 Da
  • ChemSpider ID27025490

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,4aR,5S,8aR)-2-Hydroxy-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylendecahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S,2S,4aR,5S,8aR)-2-Hydroxy-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, decahydro-2-hydroxy-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-, (1S,2S,4aR,5S,8aR)- [ACD/Index Name]
Acide (1S,2S,4aR,5S,8aR)-2-hydroxy-5-(1H-indol-3-ylméthyl)-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
indosespene
E'indosespene'

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.5±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 79.29
ACD/KOC (pH 5.5): 351.79
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 5.78
Polar Surface Area: 73 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 300.4±5.0 cm3

Click to predict properties on the Chemicalize site


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