ChemSpider 2D Image | veraguamide J | C36H62N4O8

veraguamide J

  • Molecular FormulaC36H62N4O8
  • Average mass678.899 Da
  • Monoisotopic mass678.456787 Da
  • ChemSpider ID35518040

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,6R,7S,10S,13S,16S,21aS)-3,10,13,16-Tetraisopropyl-2,7,12-trimethyl-6-pentyldecahydro-6H-pyrrolo[2,1-f][1,10,4,7,13,16]dioxatetraazacyclononadecin-1,4,8,11,14,17(7H,16H)-hexon [German] [ACD/IUPAC Name]
(3S,6R,7S,10S,13S,16S,21aS)-3,10,13,16-Tetraisopropyl-2,7,12-trimethyl-6-pentyldecahydro-6H-pyrrolo[2,1-f][1,10,4,7,13,16]dioxatetraazacyclononadecine-1,4,8,11,14,17(7H,16H)-hexone [ACD/IUPAC Name]
(3S,6R,7S,10S,13S,16S,21aS)-3,10,13,16-Tétraisopropyl-2,7,12-triméthyl-6-pentyldécahydro-6H-pyrrolo[2,1-f][1,10,4,7,13,16]dioxatétraazacyclononadécine-1,4,8,11,14,17(7H,16H)-hexone [French] [ACD/IUPAC Name]
6H-Pyrrolo[2,1-f][1,10,4,7,13,16]dioxatetraazacyclononadecine-1,4,8,11,14,17(7H,16H)-hexone, decahydro-2,7,12-trimethyl-3,10,13,16-tetrakis(1-methylethyl)-6-pentyl-, (3S,6R,7S,10S,13S,16S,21aS)- [ACD/Index Name]
veraguamide J

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

Density: 1.1±0.1 g/cm3
Boiling Point: 877.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 484.2±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 183.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 653.60
ACD/KOC (pH 5.5): 3604.14
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 653.60
ACD/KOC (pH 7.4): 3604.15
Polar Surface Area: 143 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 603.5±5.0 cm3

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