ChemSpider 2D Image | (2E,4E,6R)-N-[(1R,2s,3S,4'S,5R,7S)-5'-Hydroxy-6-oxodihydro-3'H-spiro[4,8-dioxatricyclo[5.1.0.0~3,5~]octane-2,2'-furan]-4'-yl]-4,6-dimethyl-2,4-dodecadienamide | C23H33NO6

(2E,4E,6R)-N-[(1R,2s,3S,4'S,5R,7S)-5'-Hydroxy-6-oxodihydro-3'H-spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,2'-furan]-4'-yl]-4,6-dimethyl-2,4-dodecadienamide

  • Molecular FormulaC23H33NO6
  • Average mass419.511 Da
  • Monoisotopic mass419.230774 Da
  • ChemSpider ID29784539

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2E,4E,6R)-N-[(1R,2s,3S,4'S,5R,7S)-5'-Hydroxy-6-oxodihydro-3'H-spiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,2'-furan]-4'-yl]-4,6-dimethyl-2,4-dodecadienamide [ACD/IUPAC Name]
2,4-Dodecadienamide, N-[(1R,3S,4'S,5R,7S)-dihydro-5'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,2'(3'H)-furan]-4'-yl]-4,6-dimethyl-, (2E,4E,6R)- [ACD/Index Name]
Aranorosin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 650.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 347.2±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.60
ACD/KOC (pH 5.5): 383.75
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.60
ACD/KOC (pH 7.4): 383.74
Polar Surface Area: 101 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 339.0±5.0 cm3

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