ChemSpider 2D Image | 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 | C35H48N8O9S

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 FormulaC35H48N8O9S
  • Average mass756.869 Da
  • Monoisotopic mass756.326477 Da
  • ChemSpider ID136585

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-23-(1-h ydroxyethyl)-29-(2-hydroxy-2-methylpropyl)-6,26-dimethyl- [ACD/Index Name]
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-15,21,24,26,29,32, ; 35-hepton [German] [ACD/IUPAC Name]
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]
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]
67739-84-8 [RN]
Prophalloin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1277.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 200.2±3.0 kJ/mol
Flash Point: 726.3±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 194.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -3.32
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 276 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 526.2±5.0 cm3

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