Found 3 results

Search term: ZNKJMNWJZBGNNZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5S,8S,9S)-9-(2,4-Dibromo-5-methoxyphenyl)-8-hydroxy-7-methyl-1,7-diazaspiro[4.4]nonan-6-one | C15H18Br2N2O3

(5S,8S,9S)-9-(2,4-Dibromo-5-methoxyphenyl)-8-hydroxy-7-methyl-1,7-diazaspiro[4.4]nonan-6-one

  • Molecular FormulaC15H18Br2N2O3
  • Average mass434.123 Da
  • Monoisotopic mass431.968414 Da
  • ChemSpider ID28285964

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5S,8S,9S)-9-(2,4-Dibrom-5-methoxyphenyl)-8-hydroxy-7-methyl-1,7-diazaspiro[4.4]nonan-6-on [German] [ACD/IUPAC Name]
(5S,8S,9S)-9-(2,4-Dibromo-5-methoxyphenyl)-8-hydroxy-7-methyl-1,7-diazaspiro[4.4]nonan-6-one [ACD/IUPAC Name]
(5S,8S,9S)-9-(2,4-Dibromo-5-méthoxyphényl)-8-hydroxy-7-méthyl-1,7-diazaspiro[4.4]nonan-6-one [French] [ACD/IUPAC Name]
1,7-Diazaspiro[4.4]nonan-6-one, 9-(2,4-dibromo-5-methoxyphenyl)-8-hydroxy-7-methyl-, (5S,8S,9S)- [ACD/Index Name]
()-amathaspiramide F

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

Density: 1.8±0.1 g/cm3
Boiling Point: 551.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.2±30.1 °C
Index of Refraction: 1.673
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 80.29
Polar Surface Area: 62 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 241.9±5.0 cm3

Click to predict properties on the Chemicalize site


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