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Search term: 27024345 (Found by CSID)
ChemSpider 2D Image | indoxamycin A | C22H30O3

indoxamycin A

  • Molecular FormulaC22H30O3
  • Average mass342.472 Da
  • Monoisotopic mass342.219482 Da
  • ChemSpider ID27024345

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2E)-3-{(2R,2aR,4aR,5R,7aS,7bS)-2-[(2Z)-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)-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-2a,4,5,7,7b-pentamethyl-2-[(1Z)-1-methyl-1-propen-1-yl]indeno[7,1-bc]furan-5-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{(2R,2aR,4aR,5R,7aS,7bS)-2-[(2Z)-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 A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 149.9±22.2 °C
Index of Refraction: 1.572
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 886.67
ACD/KOC (pH 5.5): 2220.93
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 14.02
ACD/KOC (pH 7.4): 35.11
Polar Surface Area: 47 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

Click to predict properties on the Chemicalize site


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