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ChemSpider 2D Image | phalloidin | C35H48N8O11S

phalloidin

  • Molecular FormulaC35H48N8O11S
  • Average mass788.868 Da
  • Monoisotopic mass788.316345 Da
  • ChemSpider ID4588

More details:





Date of deprecation: 15:31, May 3, 2016
Reason for deprecation: Deprecate record: Missing all stereochemistry.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(21E,24E,26E,29E,32E,35E)-28-(2,3-Dihydroxy-2-methylpropyl)-18,21,24,26,29,32,35-heptahydroxy-34-(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),4,6,8,21,24,26,29,32,35-decaen-15-on [German] [ACD/IUPAC Name]
(21E,24E,26E,29E,32E,35E)-28-(2,3-Dihydroxy-2-methylpropyl)-18,21,24,26,29,32,35-heptahydroxy-34-(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),4,6,8,21,24,26,29,32,35-decaen-15-one [ACD/IUPAC Name]
(21E,24E,26E,29E,32E,35E)-28-(2,3-Dihydroxy-2-méthylpropyl)-18,21,24,26,29,32,35-heptahydroxy-34-(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),4,6,8,21,24,26,29,32,35-décaén-15-one [French] [ACD/IUPAC Name]
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-(2,3-dihydroxy-2-methylpropyl)-1,2,3, 3a,5,6,8,9,10,15-decahydro-2-hydroxy-23-(1-hydroxyethyl)-6,26-dimethyl- [ACD/Index Name]
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-(2,3-dihydroxy-2-methylpropyl)-1,2,3,3a,5,6,8,9,10,15-decahydro-2-hydroxy-23-(1-hydroxyethyl)-6,26-dimethyl-
18,9-(Nitriloethanylylidenenitriloethanylylidenenitriloethanylylidenenitrilometheno)-19H-pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indol-19-one, 29-(2,3-dihydroxy-2-methylpropyl)- 1,2,3,3a,6,9,10,15,17,18-decahydro-2,4,7,22,25,28,31-heptahydroxy-23-(1-hydroxyethyl)-6,26-dimethyl-, (4E,7E,21E,24E,27E,30E)- [ACD/Index Name]
241-484-5 [EINECS]
28-(2,3-Dihydroxy-2-methylpropyl)-18-hydroxy-34-(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]
28-(2,3-Dihydroxy-2-methylpropyl)-18-hydroxy-34-(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]
28-(2,3-Dihydroxy-2-méthylpropyl)-18-hydroxy-34-(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]
More...

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

AIDS004472 [DBID]
AIDS-004472 [DBID]
BRN 4347460 [DBID]
HSDB 3524 [DBID]
NSC 523214 [DBID]
NSC523214 [DBID]
P2141_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      white powder OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      IPR-MUS LD50 2 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      26/27/28 LKT Labs [P2304]
      330 310 300 LKT Labs [P2304]
      Safety glasses, gloves, good ventilation. Takeprecautions to prevent dispersal of the material in the air oron working surfaces. OU Chemical Safety Data (No longer updated) More details
      T+ LKT Labs [P2304]

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

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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