ChemSpider 2D Image | 2-Hydroxy-5-[(Z)-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylimino)methyl]benzoic acid | C22H25NO8

2-Hydroxy-5-[(Z)-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylimino)methyl]benzoic acid

  • Molecular FormulaC22H25NO8
  • Average mass431.436 Da
  • Monoisotopic mass431.158020 Da
  • ChemSpider ID23009314

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Hydroxy-5-[(Z)-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylimino)methyl]benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-5-[(Z)-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylimino)methyl]benzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-5-[(Z)-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadécin-15-ylimino)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-5-[(Z)-[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)imino]methyl]- [ACD/Index Name]
2-HYDROXY-5-[(Z)-2,5,8,11,14-PENTAOXABICYCLO[13.4.0]NONADECA-1(15),16,18-TRIEN-18-YLIMINOMETHYL]BENZOIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


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