ChemSpider 2D Image | 18-Hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0~3,11~.0~4,9~.0~16,20~]hexatriaconta-3(11),4,6,8-tetraene-15,21, 24,26,29,32,35-heptone | C35H48N8O10S

18-Hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-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

  • Molecular FormulaC35H48N8O10S
  • Average mass772.868 Da
  • Monoisotopic mass772.321411 Da
  • ChemSpider ID31503

More details:

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

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, 1,2,3,3a,5,6,8,9,10,15-decahydro-2-hydro xy-23-(1-hydroxyethyl)-29-(2-hydroxy-2-methylpropyl)-6,26-dimethyl- [ACD/Index Name]
18-Hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-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-15,21,2 4,26,29,32,35-hepton [German] [ACD/IUPAC Name]
18-Hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-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]
18-Hydroxy-34-(1-hydroxyéthyl)-28-(2-hydroxy-2-méthylpropyl)-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]
28227-92-1 [RN]
Phalloin
Phalloine

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

HSDB 3525 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1314.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 207.0±3.0 kJ/mol
Flash Point: 748.8±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 196.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -4.59
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 524.0±5.0 cm3

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