ChemSpider 2D Image | (1R,3R,7R,10R,11R,14S,19Z,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-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~. 0~26,31~]hentetraconta-19,29-diene-29-carboxylic acid | C41H61NO9

(1R,3R,7R,10R,11R,14S,19Z,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-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26. 026,31]hentetraconta-19,29-diene-29-carboxylic acid

  • Molecular FormulaC41H61NO9
  • Average mass711.924 Da
  • Monoisotopic mass711.434631 Da
  • ChemSpider ID61710775

  • 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,19Z,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-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.0 26,31]hentetraconta-19,29-dien-29-carbonsäure [German] [ACD/IUPAC Name]
(1R,3R,7R,10R,11R,14S,19Z,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-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26. 026,31]hentetraconta-19,29-diene-29-carboxylic acid [ACD/IUPAC Name]
Acide (1R,3R,7R,10R,11R,14S,19Z,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-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.02 0,26.026,31]héntétraconta-19,29-diène-29-carboxylique [French] [ACD/IUPAC Name]
40P
Pinnatoxin A

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: 1.599
Molar Refractivity: 191.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 78.02
ACD/KOC (pH 5.5): 162.91
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 62.74
ACD/KOC (pH 7.4): 131.02
Polar Surface Area: 136 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 560.2±5.0 cm3

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