ChemSpider 2D Image | 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroperoxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}heptanoate | C20H33O6

7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroperoxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}heptanoate

  • Molecular FormulaC20H33O6
  • Average mass369.473 Da
  • Monoisotopic mass369.228271 Da
  • ChemSpider ID58163602

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3-Dioxabicyclo[2.2.1]heptane-5-heptanoic acid, 6-[(1E,3S)-3-hydroperoxy-1-octen-1-yl]-, ion(1-), (1R,4S,5R,6R)- [ACD/Index Name]
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroperoxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}heptanoat [German] [ACD/IUPAC Name]
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroperoxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}heptanoate [ACD/IUPAC Name]
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroperoxy-1-octén-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}heptanoate [French] [ACD/IUPAC Name]
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoate
Prostaglandin G1
prostaglandin G1(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin G1, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133084

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

Density:
Boiling Point: 512.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 172.8±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 323.52
ACD/KOC (pH 5.5): 1291.74
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 5.19
ACD/KOC (pH 7.4): 20.71
Polar Surface Area: 88 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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