ChemSpider 2D Image | veraguamide A | C37H59BrN4O8

veraguamide A

  • Molecular FormulaC37H59BrN4O8
  • Average mass767.790 Da
  • Monoisotopic mass766.351624 Da
  • ChemSpider ID26341345

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S,6R,7S,10S,13S,16S,21aS)-6-(5-Brom-4-pentin-1-yl)-16-[(2S)-2-butanyl]-3,10,13-triisopropyl-2,7,12-trimethyldecahydro-6H-pyrrolo[2,1-f][1,10,4,7,13,16]dioxatetraazacyclononadecin-1,4,8,11,14,17(7H,1 6H)-hexon [German] [ACD/IUPAC Name]
(3S,6R,7S,10S,13S,16S,21aS)-6-(5-Bromo-4-pentyn-1-yl)-16-[(2S)-2-butanyl]-3,10,13-triisopropyl-2,7,12-trimethyldecahydro-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)-6-(5-Bromo-4-pentyn-1-yl)-16-[(2S)-2-butanyl]-3,10,13-triisopropyl-2,7,12-triméthyldécahydro-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, 6-(5-bromo-4-pentyn-1-yl)decahydro-2,7,12-trimethyl-3,10,13-tris(1-methylethyl)-16-[(1S)-1-methylpropyl]-, (3S,6R,7S,10S,13S,16S,21aS)- [ACD/Index Name]
veraguamide A

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.543
Molar Refractivity: 194.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 522.09
ACD/KOC (pH 5.5): 3068.79
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 522.09
ACD/KOC (pH 7.4): 3068.80
Polar Surface Area: 143 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 615.8±5.0 cm3

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