ChemSpider 2D Image | isariotin F | C21H32ClNO5

isariotin F

  • Molecular FormulaC21H32ClNO5
  • Average mass413.935 Da
  • Monoisotopic mass413.196899 Da
  • ChemSpider ID24626384

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-N-[(2R,3S,4aS,8R,8aR)-8-Chlor-2,4a-dihydroxy-5-oxo-3,4,4a,5,8,8a-hexahydro-2H-chromen-3-yl]-2-dodecenamid [German] [ACD/IUPAC Name]
(2E)-N-[(2R,3S,4aS,8R,8aR)-8-Chloro-2,4a-dihydroxy-5-oxo-3,4,4a,5,8,8a-hexahydro-2H-chromen-3-yl]-2-dodecenamide [ACD/IUPAC Name]
(2E)-N-[(2R,3S,4aS,8R,8aR)-8-Chloro-2,4a-dihydroxy-5-oxo-3,4,4a,5,8,8a-hexahydro-2H-chromén-3-yl]-2-dodécénamide [French] [ACD/IUPAC Name]
2-Dodecenamide, N-[(2R,3S,4aS,8R,8aR)-8-chloro-3,4,4a,5,8,8a-hexahydro-2,4a-dihydroxy-5-oxo-2H-1-benzopyran-3-yl]-, (2E)- [ACD/Index Name]
isariotin F
(2E)-N-[(2R,3S,4aS,8R,8aR)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,4a,5,8,8a-hexahydro-2H-chromen-3-yl]dodec-2-enamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 647.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 345.2±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 507.17
ACD/KOC (pH 5.5): 3005.76
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 506.98
ACD/KOC (pH 7.4): 3004.59
Polar Surface Area: 96 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 339.1±5.0 cm3

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