ChemSpider 2D Image | (5Z)-7-[(1S,4R,5S,6S)-6-[(1Z,3R,5Z)-3-Hydroxy(2,3,5,6-~3~H_4_)-1,5-octadien-1-yl](1,4,5,6-~3~H_4_)-2,3-dioxabicyclo[2.2.1]hept-5-yl](5,6-~3~H_2_)-5-heptenoic acid | C20H20T10O5

(5Z)-7-[(1S,4R,5S,6S)-6-[(1Z,3R,5Z)-3-Hydroxy(2,3,5,6-3H4)-1,5-octadien-1-yl](1,4,5,6-3H4)-2,3-dioxabicyclo[2.2.1]hept-5-yl](5,6-3H2)-5-heptenoic acid

  • Molecular FormulaC20H20T10O5
  • Average mass370.530 Da
  • Monoisotopic mass370.291565 Da
  • ChemSpider ID8794548

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z)-7-[(1S,4R,5S,6S)-6-[(1Z,3R,5Z)-3-Hydroxy(2,3,5,6-3H4)-1,5-octadien-1-yl](1,4,5,6-3H4)-2,3-dioxabicyclo[2.2.1]hept-5-yl](5,6-3H2)-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-[(1S,4R,5S,6S)-6-[(1Z,3R,5Z)-3-Hydroxy(2,3,5,6-3H4)-1,5-octadien-1-yl](1,4,5,6-3H4)-2,3-dioxabicyclo[2.2.1]hept-5-yl](5,6-3H2)-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic-5,6-t2 acid, 7-[(1S,4R,5S,6S)-6-[(1Z,3R,5Z)-3-hydroxy-1,5-octadien-1-yl-2,3,5,6-t4]-2,3-dioxabicyclo[2.2.1]hept-5-yl-1,4,5,6-t4]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-[(1S,4R,5S,6S)-6-[(1Z,3R,5Z)-3-hydroxy(2,3,5,6-3H4)-1,5-octadién-1-yl](1,4,5,6-3H4)-2,3-dioxabicyclo[2.2.1]hept-5-yl](5,6-3H2)-5-hepténoïque [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 500.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 170.6±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 17.48
ACD/KOC (pH 5.5): 158.35
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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