ChemSpider 2D Image | Hydroxy[18-hydroxy-28-(2-hydroxy-2-methylpropyl)-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-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-tetraen-34-yl]acetic acid | C37H50N8O12S

Hydroxy[18-hydroxy-28-(2-hydroxy-2-methylpropyl)-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-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-34-yl]acetic acid

  • Molecular FormulaC37H50N8O12S
  • Average mass830.904 Da
  • Monoisotopic mass830.326904 Da
  • ChemSpider ID149740

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-23-acetic acid, 1,2,3,3a,4,5,6,7,8,9,10,15,18,19-tetradecahydro-α,2-d ihydroxy-29-(2-hydroxy-2-methylpropyl)-6-methyl-26-(1-methylethyl)-4,7,19,22,25,28,31-heptaoxo- [ACD/Index Name]
Acide hydroxy[18-hydroxy-28-(2-hydroxy-2-méthylpropyl)-31-isopropyl-23-méthyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriac ;onta-3(11),4,6,8-tétraén-34-yl]acétique [French] [ACD/IUPAC Name]
Hydroxy[18-hydroxy-28-(2-hydroxy-2-methylpropyl)-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-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-34-yl]acetic acid [ACD/IUPAC Name]
Hydroxy[18-hydroxy-28-(2-hydroxy-2-methylpropyl)-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-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-34-yl]essigsäure [German] [ACD/IUPAC Name]
53568-40-4 [RN]
Phallacin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1380.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 219.2±3.0 kJ/mol
Flash Point: 788.8±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 207.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -5.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 334 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 85.9±5.0 dyne/cm
Molar Volume: 550.4±5.0 cm3

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