ChemSpider 2D Image | spongotine A | C20H15BrN4O

spongotine A

  • Molecular FormulaC20H15BrN4O
  • Average mass407.263 Da
  • Monoisotopic mass406.042908 Da
  • ChemSpider ID27025931

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(4S)-4-(6-Brom-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl](1H-indol-3-yl)methanon [German] [ACD/IUPAC Name]
[(4S)-4-(6-Bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl](1H-indol-3-yl)methanone [ACD/IUPAC Name]
[(4S)-4-(6-Bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl](1H-indol-3-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(4S)-4-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]-1H-indol-3-yl- [ACD/Index Name]
spongotine A
(-)-spongotine A
116747-40-1 [RN]
4,5-dihydro-6'-deoxybromotopsentin
  • Miscellaneous

    • Chemical Class:

      A member of the class of imidazolines that is 4,5-dihydro-1H-imidazole which is substituted by a 1H-indole-3-carbonyl group at position 2 and a 6-bromo-1H-indol-3-yl group at position 4S. It is a bisi ndole alkaloid isolated from the marine sponge, Spongosorites sp. ChEBI CHEBI:144086

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

Density: 1.7±0.1 g/cm3
Boiling Point: 673.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.2±34.3 °C
Index of Refraction: 1.797
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 23.45
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 57.35
ACD/KOC (pH 7.4): 431.64
Polar Surface Area: 73 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 240.6±7.0 cm3

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