ChemSpider 2D Image | monactin | C41H66O12

monactin

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID22912707

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontan-3,12,21,30-t etron [German] [ACD/IUPAC Name]
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30- tetrone [ACD/IUPAC Name]
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Éthyl-2,11,14,20,23,29,32-heptaméthyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tétracontane-3,12,21,30- tétrone [French] [ACD/IUPAC Name]
4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 5-ethyl-2,11,14,20,23,29,32-heptamethyl-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29 
S,32S,34S)- [ACD/Index Name]
7182-54-9 [RN]
monactin
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5-Ethyl-2,11,14,20,23,29,32-heptamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 896.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 353.8±34.3 °C
Index of Refraction: 1.451
Molar Refractivity: 195.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 825.02
ACD/KOC (pH 5.5): 4258.02
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 825.02
ACD/KOC (pH 7.4): 4258.02
Polar Surface Area: 142 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 28.5±3.0 dyne/cm
Molar Volume: 725.5±3.0 cm3

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