ChemSpider 2D Image | RK-682 | C21H36O5

RK-682

  • Molecular FormulaC21H36O5
  • Average mass368.508 Da
  • Monoisotopic mass368.256287 Da
  • ChemSpider ID23284842

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3-hexadecanoyl-4-hydroxy-5-(hydroxymethyl)furan-2(5H)-one
(5R)-4-Hydroxy-5-(hydroxymethyl)-3-palmitoyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-4-Hydroxy-5-(hydroxymethyl)-3-palmitoyl-2(5H)-furanone [ACD/IUPAC Name]
(5R)-4-Hydroxy-5-(hydroxyméthyl)-3-palmitoyl-2(5H)-furanone [French] [ACD/IUPAC Name]
(R)-3-Hexadecanoyl-5-hydroxymethyltetronic acid
(R)-4-Hydroxy-5-(hydroxymethyl)-3-(1-oxohexadecyl)-2(5H)-furanone
150627-37-5 [RN]
2(5H)-Furanone, 4-hydroxy-5-(hydroxymethyl)-3-(1-oxohexadecyl)-, (5R)- [ACD/Index Name]
MFCD20488046
RK-682
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 183.6±23.6 °C
Index of Refraction: 1.504
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 6.41
ACD/KOC (pH 5.5): 16.54
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 7.84
Polar Surface Area: 84 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 343.4±3.0 cm3

Click to predict properties on the Chemicalize site


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