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



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(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[30.4.1.11,33.13,7.17,10.110,14.020,26.0 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[30.4.1.11,33.13,7.17,10.110,14.020,26.0 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[30.4.1.11,33.13,7.17,10.110,14.020,26.0 26,31]héntétraconta-20,29-diène-29-carboxylate [French] [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-methylidene-37,38,39,40,41-pentaoxa-21-azoniaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-diene-29-carboxylate
Pinnatoxin A
(+)-pinnatoxin A

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

Density:
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
Polarizability:
Surface Tension:
Molar Volume:

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