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Search term: DCTKEJXAVFAMFK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-(2-Carboxyethyl)-6-{3-[(5-ethyl-4'-fluoro-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthene-2-carboxylic acid | C34H29FO9

5-(2-Carboxyethyl)-6-{3-[(5-ethyl-4'-fluoro-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthene-2-carboxylic acid

  • Molecular FormulaC34H29FO9
  • Average mass600.587 Da
  • Monoisotopic mass600.179565 Da
  • ChemSpider ID167158

More details:

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

5-(2-Carboxyethyl)-6-{3-[(5-ethyl-4'-fluor-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthen-2-carbonsäure [German] [ACD/IUPAC Name]
5-(2-Carboxyethyl)-6-{3-[(5-ethyl-4'-fluoro-2-hydroxy-4-biphenylyl)oxy]propoxy}-9-oxo-9H-xanthene-2-carboxylic acid [ACD/IUPAC Name]
5-(2-carboxyethyl)-6-{3-[(5-ethyl-4'-fluoro-2-hydroxybiphenyl-4-yl)oxy]propoxy}-9-oxo-9H-xanthene-2-carboxylic acid
9H-Xanthene-4-propanoic acid, 7-carboxy-3-[3-[(5-ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-9-oxo- [ACD/Index Name]
Acide 5-(2-carboxyéthyl)-6-{3-[(5-éthyl-4'-fluoro-2-hydroxy-4-biphénylyl)oxy]propoxy}-9-oxo-9H-xanthène-2-carboxylique [French] [ACD/IUPAC Name]
153034-77-6 [RN]
1865-25-4 [RN]
5-(2-CARBOXYETHYL)-6-[3-({5-ETHYL-4'-FLUORO-2-HYDROXY-[1,1'-BIPHENYL]-4-YL}OXY)PROPOXY]-9-OXO-9H-XANTHENE-2-CARBOXYLIC ACID
5-(2-CARBOXYETHYL)-6-[3-({5-ETHYL-4'-FLUORO-2-HYDROXY-[1,1'-BIPHENYL]-4-YL}OXY)PROPOXY]-9-OXOXANTHENE-2-CARBOXYLIC ACID
5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yloxy)-propoxy]-9-oxo-9H-xanthene-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LY 292728 [DBID]
LY-292728 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 836.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.8±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 73.68
ACD/KOC (pH 5.5): 130.94
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 140 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 436.2±3.0 cm3

Click to predict properties on the Chemicalize site


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