ChemSpider 2D Image | 2-[(E)-{[(4beta,8alpha,9S)-6'-Methoxycinchonan-9-yl]imino}methyl]phenol | C27H29N3O2

2-[(E)-{[(4β,8α,9S)-6'-Methoxycinchonan-9-yl]imino}methyl]phenol

  • Molecular FormulaC27H29N3O2
  • Average mass427.538 Da
  • Monoisotopic mass427.225983 Da
  • ChemSpider ID30656782

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(E)-{[(4β,8α,9S)-6'-Methoxycinchonan-9-yl]imino}methyl]phenol [German] [ACD/IUPAC Name]
2-[(E)-{[(4β,8α,9S)-6'-Methoxycinchonan-9-yl]imino}methyl]phenol [ACD/IUPAC Name]
2-[(E)-{[(4β,8α,9S)-6'-Méthoxycinchonan-9-yl]imino}méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-[(E)-[[(4β,8α,9S)-6'-methoxycinchonan-9-yl]imino]methyl]- [ACD/Index 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: 597.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 315.1±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 5.20
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 16.01
ACD/KOC (pH 7.4): 67.95
Polar Surface Area: 58 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 346.5±7.0 cm3

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