ChemSpider 2D Image | pinnatoxin G | C42H63NO7

pinnatoxin G

  • Molecular FormulaC42H63NO7
  • Average mass693.952 Da
  • Monoisotopic mass693.460449 Da
  • ChemSpider ID65322945
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(1R,3R,7R,10R,11R,14S,16Z,23R,24S,26R,31S,32S,33R,34R,35R)-11,16,23,24,35-Pentamethyl-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetra conta-16,20,29-trien-11,34-diol [German] [ACD/IUPAC Name]
(1R,3R,7R,10R,11R,14S,16Z,23R,24S,26R,31S,32S,33R,34R,35R)-11,16,23,24,35-Pentamethyl-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetra conta-16,20,29-triene-11,34-diol [ACD/IUPAC Name]
(1R,3R,7R,10R,11R,14S,16Z,23R,24S,26R,31S,32S,33R,34R,35R)-11,16,23,24,35-Pentaméthyl-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]héntétra conta-16,20,29-triène-11,34-diol [French] [ACD/IUPAC Name]
pinnatoxin G

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 189.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 61977.82
ACD/KOC (pH 5.5): 28912.96
ACD/LogD (pH 7.4): 8.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 600478.19
Polar Surface Area: 99 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 532.3±7.0 cm3

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