ChemSpider 2D Image | (1S,2E)-1-[(1R,3S,7S,8S,10R,12S,15Z,18R)-7-Hydroxy-3-methyl-5-methylene-14-oxo-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-12-yl]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl acetate | C32H44O8

(1S,2E)-1-[(1R,3S,7S,8S,10R,12S,15Z,18R)-7-Hydroxy-3-methyl-5-methylene-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-12-yl]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl acetate

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID8456518

  • 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,2E)-1-[(1R,3S,7S,8S,10R,12S,15Z,18R)-7-Hydroxy-3-methyl-5-methylen-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-12-yl]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl-a cetat [German] [ACD/IUPAC Name]
(1S,2E)-1-[(1R,3S,7S,8S,10R,12S,15Z,18R)-7-Hydroxy-3-methyl-5-methylene-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-12-yl]-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl acetate [ACD/IUPAC Name]
Acétate de (1S,2E)-1-[(1R,3S,7S,8S,10R,12S,15Z,18R)-7-hydroxy-3-méthyl-5-méthylène-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dién-12-yl]-3-[(2S)-4-méthyl-3,6-dihydro-2H-pyran-2-yl]-2-p ropén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 224.6±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1268.89
ACD/KOC (pH 5.5): 5794.68
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1268.89
ACD/KOC (pH 7.4): 5794.68
Polar Surface Area: 104 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 470.9±5.0 cm3

Click to predict properties on the Chemicalize site


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