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Search term: 27024350 (Found by CSID)
ChemSpider 2D Image | indoxamycin F | C22H30O4

indoxamycin F

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID27024350

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-3-{(2R,2aR,4aR,5S,6S,7aR,7bS)-2-[(2Z)-2-Buten-2-yl]-6-hydroxy-2a,4,5,7b-tetramethyl-7-methylen-2,2a,4a,5,6,7,7a,7b-octahydroindeno[7,1-bc]furan-5-yl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{(2R,2aR,4aR,5S,6S,7aR,7bS)-2-[(2Z)-2-Buten-2-yl]-6-hydroxy-2a,4,5,7b-tetramethyl-7-methylene-2,2a,4a,5,6,7,7a,7b-octahydroindeno[7,1-bc]furan-5-yl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[(2R,2aR,4aR,5S,6S,7aR,7bS)-2,2a,4a,5,6,7,7a,7b-octahydro-6-hydroxy-2a,4,5,7b-tetramethyl-7-methylene-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,5S,6S,7aR,7bS)-2-[(2Z)-2-butén-2-yl]-6-hydroxy-2a,4,5,7b-tétraméthyl-7-méthylène-2,2a,4a,5,6,7,7a,7b-octahydroindéno[7,1-bc]furan-5-yl}acrylique [French] [ACD/IUPAC Name]
indoxamycin F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 160.3±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 60.09
ACD/KOC (pH 5.5): 321.33
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.09
Polar Surface Area: 67 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 309.8±5.0 cm3

Click to predict properties on the Chemicalize site


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