Found 1 result

Search term: OKSPDBSTEZCWNM-VUTHCHCSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[5-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)pentyl]-2-[(E)-(hydroxyimino)methyl]-3-pyridinol | C28H33N3O4

6-[5-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)pentyl]-2-[(E)-(hydroxyimino)methyl]-3-pyridinol

  • Molecular FormulaC28H33N3O4
  • Average mass475.579 Da
  • Monoisotopic mass475.247101 Da
  • ChemSpider ID28664311

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Pyridinecarboxaldehyde, 6-[5-(3,4-dihydro-6,7-dimethoxy-1-phenyl-2(1H)-isoquinolinyl)pentyl]-3-hydroxy-, oxime [ACD/Index Name]
6-[5-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isochinolinyl)pentyl]-2-[(E)-(hydroxyimino)methyl]-3-pyridinol [German] [ACD/IUPAC Name]
6-[5-(6,7-Diméthoxy-1-phényl-3,4-dihydro-2(1H)-isoquinoléinyl)pentyl]-2-[(E)-(hydroxyimino)méthyl]-3-pyridinol [French] [ACD/IUPAC Name]
6-[5-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)pentyl]-2-[(E)-(hydroxyimino)methyl]-3-pyridinol [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 241.29
ACD/KOC (pH 5.5): 521.78
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 6604.30
ACD/KOC (pH 7.4): 14281.15
Polar Surface Area: 87 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 394.8±7.0 cm3

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