ChemSpider 2D Image | muironolide A | C27H33Cl4NO5

muironolide A

  • Molecular FormulaC27H33Cl4NO5
  • Average mass593.367 Da
  • Monoisotopic mass591.111267 Da
  • ChemSpider ID27024092

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5aS,6E,8R,11R,15S,18E,19aR,19bR)-15-[(1S,2R)-2-Chlorcyclopropyl]-6,8,19b-trimethyl-11-(trichlormethyl)-1,2,5,5a,8,9,10,11,14,15,19a,19b-dodecahydro-13H-[1,5]dioxacyclohexadecino[9,10-e]isoindol-3,13, 17-trion [German] [ACD/IUPAC Name]
(5aS,6E,8R,11R,15S,18E,19aR,19bR)-15-[(1S,2R)-2-Chlorocyclopropyl]-6,8,19b-trimethyl-11-(trichloromethyl)-1,2,5,5a,8,9,10,11,14,15,19a,19b-dodecahydro-13H-[1,5]dioxacyclohexadecino[9,10-e]isoindole-3, 13,17-trione [ACD/IUPAC Name]
(5aS,6E,8R,11R,15S,18E,19aR,19bR)-15-[(1S,2R)-2-Chlorocyclopropyl]-6,8,19b-triméthyl-11-(trichlorométhyl)-1,2,5,5a,8,9,10,11,14,15,19a,19b-dodécahydro-13H-[1,5]dioxacyclohexadécino[9,10-e]isoindole-3, 13,17-trione [French] [ACD/IUPAC Name]
13H-[1,5]Dioxacyclohexadecino[9,10-e]isoindole-3,13,17-trione, 15-[(1S,2R)-2-chlorocyclopropyl]-1,2,5,5a,8,9,10,11,14,15,19a,19b-dodecahydro-6,8,19b-trimethyl-11-(trichloromethyl)-, (5aS,6E,8R,11R,15S ,18E,19aR,19bR)- [ACD/Index Name]
muironolide A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 786.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.1±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5277.62
ACD/KOC (pH 5.5): 16073.61
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5277.63
ACD/KOC (pH 7.4): 16073.62
Polar Surface Area: 82 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

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