Found 1 result

Search term: MF = 'C_{22}H_{41}F_{2}O_{5}P'
ChemSpider 2D Image | [(5S)-3,3-Difluoro-2-hydroxy-2-oxido-1,2-oxaphospholan-5-yl]methyl stearate | C22H41F2O5P

[(5S)-3,3-Difluoro-2-hydroxy-2-oxido-1,2-oxaphospholan-5-yl]methyl stearate

  • Molecular FormulaC22H41F2O5P
  • Average mass454.529 Da
  • Monoisotopic mass454.265961 Da
  • ChemSpider ID23274314

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(5S)-3,3-Difluor-2-hydroxy-2-oxido-1,2-oxaphospholan-5-yl]methylstearat [German] [ACD/IUPAC Name]
[(5S)-3,3-difluoro-2-hydroxy-2-oxido-1,2-oxaphospholan-5-yl]methyl octadecanoate
[(5S)-3,3-Difluoro-2-hydroxy-2-oxido-1,2-oxaphospholan-5-yl]methyl stearate [ACD/IUPAC Name]
Octadecanoic acid, [(5S)-3,3-difluoro-2-hydroxy-2-oxido-1,2-oxaphospholan-5-yl]methyl ester [ACD/Index Name]
Stéarate de [(5S)-3,3-difluoro-2-hydroxy-2-oxydo-1,2-oxaphospholan-5-yl]méthyle [French] [ACD/IUPAC Name]
1,1-difluoro-3(S)-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphonate
CHEMBL215722

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 256.5±32.9 °C
Index of Refraction: 1.463
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 83 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 414.0±5.0 cm3

Click to predict properties on the Chemicalize site


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