ChemSpider 2D Image | notoamide J | C21H25N3O4

notoamide J

  • Molecular FormulaC21H25N3O4
  • Average mass383.441 Da
  • Monoisotopic mass383.184509 Da
  • ChemSpider ID23344411

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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(3S,8aS)-3-{[(3S)-6-Hydroxy-3-(2-methyl-3-buten-2-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3S,8aS)-3-{[(3S)-6-Hydroxy-3-(2-methyl-3-buten-2-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3S,8aS)-3-{[(3S)-6-Hydroxy-3-(2-méthyl-3-butén-2-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]méthyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
notoamide J
Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-[[(3S)-3-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-6-hydroxy-2-oxo-1H-indol-3-yl]methyl]hexahydro-, (3S,8aS)- [ACD/Index Name]
(3S,8aS)-3-{[(3S)-6-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460139/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 366.0±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 103.07
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.52
ACD/KOC (pH 7.4): 102.16
Polar Surface Area: 99 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

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