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Search term: SRUKHZJJQCUVKU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [2-(Hydroxymethyl)-4-isopropylidene-5-oxotetrahydro-2-furanyl]methyl 4-{[4-({4-[(16-methoxy-16-oxohexadecyl)oxy]phenyl}ethynyl)phenyl]ethynyl}benzoate | C49H58O8

[2-(Hydroxymethyl)-4-isopropylidene-5-oxotetrahydro-2-furanyl]methyl 4-{[4-({4-[(16-methoxy-16-oxohexadecyl)oxy]phenyl}ethynyl)phenyl]ethynyl}benzoate

  • Molecular FormulaC49H58O8
  • Average mass774.980 Da
  • Monoisotopic mass774.413147 Da
  • ChemSpider ID17267733

More details:

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

[2-(Hydroxymethyl)-4-isopropyliden-5-oxotetrahydro-2-furanyl]methyl-4-{[4-({4-[(16-methoxy-16-oxohexadecyl)oxy]phenyl}ethinyl)phenyl]ethinyl}benzoat [German] [ACD/IUPAC Name]
[2-(Hydroxymethyl)-4-isopropylidene-5-oxotetrahydro-2-furanyl]methyl 4-{[4-({4-[(16-methoxy-16-oxohexadecyl)oxy]phenyl}ethynyl)phenyl]ethynyl}benzoate [ACD/IUPAC Name]
[2-(hydroxymethyl)-5-oxo-4-(propan-2-ylidene)tetrahydrofuran-2-yl]methyl 4-{[4-({4-[(16-methoxy-16-oxohexadecyl)oxy]phenyl}ethynyl)phenyl]ethynyl}benzoate
4-{[4-({4-[(16-Méthoxy-16-oxohexadécyl)oxy]phényl}éthynyl)phényl]éthynyl}benzoate de [2-(hydroxyméthyl)-4-isopropylidène-5-oxotétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[4-[2-[4-[(16-methoxy-16-oxohexadecyl)oxy]phenyl]ethynyl]phenyl]ethynyl]-, [tetrahydro-2-(hydroxymethyl)-4-(1-methylethylidene)-5-oxo-2-furanyl]methyl ester [ACD/Index Name]
CHEMBL220962
methyl 16-{4-[2-(4-{2-[4-({[2-(Hydroxymethyl)-4-(methylethylidene)-5-oxo-2-2,3dihydrofuryl]methyl}oxycarbonyl)phenyl]ethynyl}phenyl)ethynyl]phenoxy}hexadecanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 833.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 236.6±27.8 °C
Index of Refraction: 1.587
Molar Refractivity: 222.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 13.76
ACD/LogD (pH 5.5): 12.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 108 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 660.6±5.0 cm3

Click to predict properties on the Chemicalize site


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