ChemSpider 2D Image | Enacyloxin iia | C33H45Cl2NO11

Enacyloxin iia

  • Molecular FormulaC33H45Cl2NO11
  • Average mass702.617 Da
  • Monoisotopic mass701.236938 Da
  • ChemSpider ID4450386

  • 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,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(Carbamoyloxy)-11,18-dichlor-13,14,17-trihydroxy-6,12-dimethyl-15-oxo-2,4,6,8,10,20-tricosahexaenoyl]oxy}-4-hydroxycyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1S,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(Carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxo-2,4,6,8,10,20-tricosahexaenoyl]oxy}-4-hydroxycyclohexanecarboxyli c acid [ACD/IUPAC Name]
Acide (1S,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-diméthyl-15-oxo-2,4,6,8,10,20-tricosahexaenoyl]oxy}-4-hydroxycyclohexanecar boxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 3-[[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-[(aminocarbonyl)oxy]-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-1,15-dioxo-2,4,6,8,10,20-tricosahexaen-1-yl]oxy]- 4-hydroxy-, (1S,3R,4S)- [ACD/Index Name]
Enacyloxin iia
ENX

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

Density: 1.3±0.1 g/cm3
Boiling Point: 938.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.9±6.0 kJ/mol
Flash Point: 521.3±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 13.21
ACD/KOC (pH 5.5): 87.82
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 214 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 524.9±5.0 cm3

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