ChemSpider 2D Image | 2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11 .0~6,10~.0~18,26~.0~19,24~]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide | C39H54N10O14S

2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11 .06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide

  • Molecular FormulaC39H54N10O14S
  • Average mass918.970 Da
  • Monoisotopic mass918.354187 Da
  • ChemSpider ID25069994

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-8,22-dihydroxy-2,5,11,14,30,33,36,39-octaoxo-27-oxydo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11 ;.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tétraén-4-yl]acétamide [French] [ACD/IUPAC Name]
2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11 ;.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamid [German] [ACD/IUPAC Name]
2-[(1R,4S,8R,10S,13S,16S,34S)-34-[(2S)-2-Butanyl]-13-[(2R,3R)-3,4-dihydroxy-2-butanyl]-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11 ;.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide [ACD/IUPAC Name]
9,18-(Iminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indole-6-acetamide, 21-[(1R,2R)-2,3-dihydroxy-1-methylpropyl]-1,2,3,5,6,7,8,9,10, 12,17,18,19,20,21,22,23,23a-octadecahydro-2,14-dihydroxy-29-[(1S)-1-methylpropyl]-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide, (2R,6S,9R,18S,21S,23aS,29S)- [ACD/Index Name]
[23109-05-9] [RN]
a-Amanitin
BD6195000
MFCD00215842 [MDL number]
Toxins extracted from living sources, solid, n.o.s. (a-Amanitin)
α-; Amanitin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

23109-05-9 [DBID] [RN]
UN3462 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 4025
      Inhibitor of RNA polymerase II Tocris Bioscience 4025
      Inhibitor of RNA polymerase II. Inhibits transcription in eukaryotic cells. Binds and blocks the largest subunits of RNA polymerase II, preventing new ribonucleotides from incorporating into the nasce nt RNA chain. Potent amatoxin. Tocris Bioscience 4025
      Inhibitor of RNA polymerase II. Inhibits transcription in eukaryotic cells. Binds and blocks the largest subunits of RNA polymerase II, preventing new ribonucleotides from incorporating into the nascent RNA chain. Potent amatoxin. Tocris Bioscience 4025
      Polymerases Tocris Bioscience 4025
      RNA/DNA Polymerase Tocris Bioscience 4025

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1622.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 266.5±3.0 kJ/mol
Flash Point: 934.9±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 224.6±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -9.14
ACD/LogD (pH 5.5): -8.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 400 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 98.3±5.0 dyne/cm
Molar Volume: 584.7±5.0 cm3

Click to predict properties on the Chemicalize site


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