ChemSpider 2D Image | formosalide A | C32H50O9

formosalide A

  • Molecular FormulaC32H50O9
  • Average mass578.734 Da
  • Monoisotopic mass578.345459 Da
  • ChemSpider ID103708800

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4R,7R,10R,14R,15S,16S,17R)-10-[(2R,4Z,6Z,9Z,11Z)-2,14-Dihydroxy-7-methyl-4,6,9,11-tetradecatetraen-1-yl]-1,16,17-trihydroxy-15-methyl-9,18,19-trioxatricyclo[12.3.1.14,7]nonadecan-8-on [German] [ACD/IUPAC Name]
(1S,4R,7R,10R,14R,15S,16S,17R)-10-[(2R,4Z,6Z,9Z,11Z)-2,14-Dihydroxy-7-methyl-4,6,9,11-tetradecatetraen-1-yl]-1,16,17-trihydroxy-15-methyl-9,18,19-trioxatricyclo[12.3.1.14,7]nonadecan-8-one [ACD/IUPAC Name]
(1S,4R,7R,10R,14R,15S,16S,17R)-10-[(2R,4Z,6Z,9Z,11Z)-2,14-Dihydroxy-7-méthyl-4,6,9,11-tétradécatétraén-1-yl]-1,16,17-trihydroxy-15-méthyl-9,18,19-trioxatricyclo[12.3.1.14,7]nonadécan-8-one [French] [ACD/IUPAC Name]
formosalide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 776.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 243.5±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.87
ACD/KOC (pH 5.5): 689.71
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.87
ACD/KOC (pH 7.4): 689.70
Polar Surface Area: 146 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 496.2±3.0 cm3

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