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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]
  • 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:

      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

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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