ChemSpider 2D Image | phalloidin | C35H48N8O11S

phalloidin

  • Molecular FormulaC35H48N8O11S
  • Average mass788.868 Da
  • Monoisotopic mass788.316345 Da
  • ChemSpider ID28467534

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,14S,18R,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20 ]hexatriaconta-3(11),4,6,8-tetraen-15,21,24,26,29,32,35-hepton [German] [ACD/IUPAC Name]
(1S,14S,18R,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20 ]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone [ACD/IUPAC Name]
(1S,14S,18R,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-méthylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyéthyl]-23,31-diméthyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20 ]hexatriaconta-3(11),4,6,8-tétraène-15,21,24,26,29,32,35-heptone [French] [ACD/IUPAC Name]
17466-45-4 [RN]
18,9-(Iminoethanoiminoethanoiminoethanoiminomethano)-17H-pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indole-4,7,19,22,25,28,31(18H)-heptone, 29-[(2R)-2,3-dihydroxy-2-methylpropyl]-1 ,2,3,3a,5,6,8,9,10,15-decahydro-2-hydroxy-23-[(1S)-1-hydroxyethyl]-6,26-dimethyl-, (2R,3aS,6S,9S,18S,23R,29S)- [ACD/Index Name]
phalloidin [Wiki]
SE9800000
XBD173 |

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

UN 2811 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Actin Tocris Bioscience 4535
      Cell Biology Tocris Bioscience 4535
      Cytoskeleton and Motor Proteins Tocris Bioscience 4535
      Promotes actin polymerization Tocris Bioscience 4535
      Promotes actin polymerization. Decreases dissociation rate constant for actin subunits from filament ends; lowers critical concentration for polymerization. Tocris Bioscience 4535

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1370.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 217.3±3.0 kJ/mol
Flash Point: 782.6±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 197.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -5.75
ACD/LogD (pH 5.5): -4.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 87.1±5.0 dyne/cm
Molar Volume: 521.1±5.0 cm3

Click to predict properties on the Chemicalize site


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