ChemSpider 2D Image | (5Z)-7-[(1S,4R,5S,6S)-6-[(1Z,3R)-3-Hydroxy(2,3-~3~H_2_)-1-octen-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 | C20H24T8O5

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

  • Molecular FormulaC20H24T8O5
  • Average mass368.530 Da
  • Monoisotopic mass368.290771 Da
  • ChemSpider ID8913110

  • 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)-3-Hydroxy(2,3-3H2)-1-octen-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)-3-Hydroxy(2,3-3H2)-1-octen-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)-3-hydroxy-1-octen-1-yl-2,3-t2]-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)-3-hydroxy(2,3-3H2)-1-octén-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: 490.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 165.5±20.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 48.16
ACD/KOC (pH 5.5): 327.07
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.22
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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