ChemSpider 2D Image | Didocosanoin | C47H92O5

Didocosanoin

  • Molecular FormulaC47H92O5
  • Average mass737.230 Da
  • Monoisotopic mass736.694458 Da
  • ChemSpider ID7986372

More details:

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

2-Hydroxy-1,3-propandiyl-didocosanoat [German] [ACD/IUPAC Name]
2-Hydroxy-1,3-propanediyl didocosanoate [ACD/IUPAC Name]
2-Hydroxypropane-1,3-diyl didocosanoate
303-650-6 [EINECS]
94201-62-4 [RN]
99880-64-5 [RN]
Didocosanoate de 2-hydroxy-1,3-propanediyle [French] [ACD/IUPAC Name]
Didocosanoin
Docosanoic acid, 2-hydroxy-1,3-propanediyl ester [ACD/Index Name]
GLYCERYL 1,3-DIBEHENATE
More...

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

84T2X52XS0 [DBID]
UNII:84T2X52XS0 [DBID]
UNII-84T2X52XS0 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 746.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.2±6.0 kJ/mol
Flash Point: 196.7±17.2 °C
Index of Refraction: 1.468
Molar Refractivity: 224.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 20.72
ACD/LogD (pH 5.5): 18.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.1±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 809.2±3.0 cm3

Click to predict properties on the Chemicalize site


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