ChemSpider 2D Image | 1-[(2S)-2-Hydroxypropyl]-3-methoxy-2-methyl-6-(3-methyl-2-buten-1-yl)-9H-carbazol-4-ol | C22H27NO3

1-[(2S)-2-Hydroxypropyl]-3-methoxy-2-methyl-6-(3-methyl-2-buten-1-yl)-9H-carbazol-4-ol

  • Molecular FormulaC22H27NO3
  • Average mass353.455 Da
  • Monoisotopic mass353.199097 Da
  • ChemSpider ID59701144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-Hydroxypropyl]-3-methoxy-2-methyl-6-(3-methyl-2-buten-1-yl)-9H-carbazol-4-ol [German] [ACD/IUPAC Name]
1-[(2S)-2-Hydroxypropyl]-3-methoxy-2-methyl-6-(3-methyl-2-buten-1-yl)-9H-carbazol-4-ol [ACD/IUPAC Name]
1-[(2S)-2-Hydroxypropyl]-3-méthoxy-2-méthyl-6-(3-méthyl-2-butén-1-yl)-9H-carbazol-4-ol [French] [ACD/IUPAC Name]
9H-Carbazole-1-ethanol, 4-hydroxy-3-methoxy-α,2-dimethyl-6-(3-methyl-2-buten-1-yl)-, (αS)- [ACD/Index Name]
Neocarazostatin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.9±28.7 °C
Index of Refraction: 1.652
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2186.39
ACD/KOC (pH 5.5): 8554.02
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2185.90
ACD/KOC (pH 7.4): 8552.13
Polar Surface Area: 65 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 297.7±3.0 cm3

Click to predict properties on the Chemicalize site


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