ChemSpider 2D Image | (5R)-4-(Benzyloxy)-5-(hydroxymethyl)-3-palmitoyl-2(5H)-furanone | C28H42O5

(5R)-4-(Benzyloxy)-5-(hydroxymethyl)-3-palmitoyl-2(5H)-furanone

  • Molecular FormulaC28H42O5
  • Average mass458.630 Da
  • Monoisotopic mass458.303223 Da
  • ChemSpider ID29404647
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-4-(Benzyloxy)-5-(hydroxymethyl)-3-palmitoyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-4-(Benzyloxy)-5-(hydroxymethyl)-3-palmitoyl-2(5H)-furanone [ACD/IUPAC Name]
(5R)-4-(Benzyloxy)-5-(hydroxyméthyl)-3-palmitoyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-(hydroxymethyl)-3-(1-oxohexadecyl)-4-(phenylmethoxy)-, (5R)- [ACD/Index Name]
10.1016/j.bmc.2013.01.033

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 212.6±25.0 °C
Index of Refraction: 1.527
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 588105.13
ACD/KOC (pH 5.5): 469187.75
ACD/LogD (pH 7.4): 7.89
ACD/BCF (pH 7.4): 588104.44
ACD/KOC (pH 7.4): 469187.25
Polar Surface Area: 73 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 426.8±5.0 cm3

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