ChemSpider 2D Image | indoxamycin E | C22H30O4

indoxamycin E

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID27024349

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-{(2R,2aR,4aR,5R,7aS,7bS)-2-[(2Z)-4-Hydroxy-2-buten-2-yl]-2a,4,5,7,7b-pentamethyl-2,2a,4a,5,7a,7b-hexahydroindeno[7,1-bc]furan-5-yl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{(2R,2aR,4aR,5R,7aS,7bS)-2-[(2Z)-4-Hydroxy-2-buten-2-yl]-2a,4,5,7,7b-pentamethyl-2,2a,4a,5,7a,7b-hexahydroindeno[7,1-bc]furan-5-yl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[(2R,2aR,4aR,5R,7aS,7bS)-2,2a,4a,5,7a,7b-hexahydro-2-[(1Z)-3-hydroxy-1-methyl-1-propen-1-yl]-2a,4,5,7,7b-pentamethylindeno[7,1-bc]furan-5-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{(2R,2aR,4aR,5R,7aS,7bS)-2-[(2Z)-4-hydroxy-2-butén-2-yl]-2a,4,5,7,7b-pentaméthyl-2,2a,4a,5,7a,7b-hexahydroindéno[7,1-bc]furan-5-yl}acrylique [French] [ACD/IUPAC Name]
indoxamycin E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 498.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 168.4±22.2 °C
Index of Refraction: 1.588
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 89.86
ACD/KOC (pH 5.5): 431.43
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 6.82
Polar Surface Area: 67 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

Click to predict properties on the Chemicalize site


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