ChemSpider 2D Image | (1E,3S,4S)-1-{(2S,3S)-3-[(2R,3S)-3-Acetoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-oxiranyl}-1-pentene-3,4-diyl diacetate | C18H22O9

(1E,3S,4S)-1-{(2S,3S)-3-[(2R,3S)-3-Acetoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-oxiranyl}-1-pentene-3,4-diyl diacetate

  • Molecular FormulaC18H22O9
  • Average mass382.362 Da
  • Monoisotopic mass382.126373 Da
  • ChemSpider ID62992796

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1E,3S,4S)-1-{(2S,3S)-3-[(2R,3S)-3-Acetoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-oxiranyl}-1-penten-3,4-diyl-diacetat [German] [ACD/IUPAC Name]
(1E,3S,4S)-1-{(2S,3S)-3-[(2R,3S)-3-Acetoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-oxiranyl}-1-pentene-3,4-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1E,3S,4S)-1-{(2S,3S)-3-[(2R,3S)-3-acétoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-oxiranyl}-1-pentène-3,4-diyle [French] [ACD/IUPAC Name]
73413-68-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 520.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 227.9±30.2 °C
Index of Refraction: 1.521
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.42
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 42.42
Polar Surface Area: 118 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 295.9±5.0 cm3

Click to predict properties on the Chemicalize site


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