ChemSpider 2D Image | veraguamide F | C40H58N4O8

veraguamide F

  • Molecular FormulaC40H58N4O8
  • Average mass722.911 Da
  • Monoisotopic mass722.425476 Da
  • ChemSpider ID26398764

  • 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)-16-Benzyl-3,10,13-triisopropyl-2,7,12-trimethyl-6-(4-pentin-1-yl)decahydro-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)-16-Benzyl-3,10,13-triisopropyl-2,7,12-trimethyl-6-(4-pentyn-1-yl)decahydro-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)-16-Benzyl-3,10,13-triisopropyl-2,7,12-triméthyl-6-(4-pentyn-1-yl)décahydro-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-tris(1-methylethyl)-6-(4-pentyn-1-yl)-16-(phenylmethyl)-, (3S,6R,7S,10S, 13S,16S,21aS)- [ACD/Index Name]
veraguamide F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 932.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 517.4±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 197.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 327.72
ACD/KOC (pH 5.5): 2198.88
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 327.72
ACD/KOC (pH 7.4): 2198.88
Polar Surface Area: 143 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 613.6±5.0 cm3

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