ChemSpider 2D Image | MFCD00037625 | C38H47NO6

MFCD00037625

  • Molecular FormulaC38H47NO6
  • Average mass613.783 Da
  • Monoisotopic mass613.340332 Da
  • ChemSpider ID3830516

More details:

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

110698-53-8 [RN]
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-(stearoylamino)benzoesäure [German] [ACD/IUPAC Name]
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-(stearoylamino)benzoic acid [ACD/IUPAC Name]
5-(OCTADECANOYLAMINO)FLUORESCEIN
5-(Stearoylamino)fluorescein
Acide 2-(6-hydroxy-3-oxo-3H-xanthén-9-yl)-5-(stearoylamino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(1-oxooctadecyl)amino]- [ACD/Index Name]
MFCD00037625
2-(3-HYDROXY-6-OXOXANTHEN-9-YL)-5-OCTADECANAMIDOBENZOIC ACID
2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-5-OCTADECANAMIDOBENZOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 828.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.6±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 175.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 11.32
ACD/LogD (pH 5.5): 9.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 883128.56
ACD/LogD (pH 7.4): 8.00
ACD/BCF (pH 7.4): 141190.38
ACD/KOC (pH 7.4): 25253.57
Polar Surface Area: 113 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 509.9±5.0 cm3

Click to predict properties on the Chemicalize site


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