There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | Pinnatoxin A | C41H61NO9

Pinnatoxin A

  • Molecular FormulaC41H61NO9
  • Average mass711.924 Da
  • Monoisotopic mass711.434631 Da
  • ChemSpider ID9654410
  • defined stereocentres - 14 of 14 defined stereocentres

More details:

Featured data source

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

(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylen-37,38,39,40,41-pentaoxa-21-azoniaoctacyclo[,33.13,7.17,10.110,14.020,26.0 26,31]hentetraconta-20,29-dien-29-carboxylat [German] [ACD/IUPAC Name]
(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylene-37,38,39,40,41-pentaoxa-21-azoniaoctacyclo[,33.13,7.17,10.110,14.020,26.0 26,31]hentetraconta-20,29-diene-29-carboxylate [ACD/IUPAC Name]
(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-Dihydroxy-11,23,24,35-tétraméthyl-16-méthylène-37,38,39,40,41-pentaoxa-21-azoniaoctacyclo[,33.13,7.17,10.110,14.020,26.0 26,31]héntétraconta-20,29-diène-29-carboxylate [French] [ACD/IUPAC Name]
Pinnatoxin A
(+)-pinnatoxin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 1158.46
ACD/KOC (pH 5.5): 1132.79
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 828.63
ACD/KOC (pH 7.4): 810.27
Polar Surface Area: 141 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site