Found 1566 results

Search term: MF = 'C_{15}H_{17}FO_{4}'
ChemSpider 2D Image | [(4aR,9S,9aS)-7-Fluoro-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl]acetic acid | C15H17FO4

[(4aR,9S,9aS)-7-Fluoro-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl]acetic acid

  • Molecular FormulaC15H17FO4
  • Average mass280.292 Da
  • Monoisotopic mass280.111084 Da
  • ChemSpider ID23160122

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(4aR,9S,9aS)-7-Fluor-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl]essigsäure [German] [ACD/IUPAC Name]
[(4aR,9S,9aS)-7-Fluoro-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl]acetic acid [ACD/IUPAC Name]
1H-Xanthene-9-acetic acid, 7-fluoro-2,3,4,4a,9,9a-hexahydro-9-hydroxy-, (4aR,9S,9aS)- [ACD/Index Name]
Acide [(4aR,9S,9aS)-7-fluoro-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xanthén-9-yl]acétique [French] [ACD/IUPAC Name]
(7-Fluoro-9-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL302055/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 38.76
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 211.1±3.0 cm3

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