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Predicted properties of the compound entered.

ID AAQYNZJOSYXHEI-CPDBGCJFSA-N
Formula C39H70O4S
IUPAC Name (2R)-2-{[(10R,13R)-10-(benzenesulfonyl)-13-methylheptacosyl]oxy}oxane
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C39H70O4S/c1-3-4-5-6-7-8-9-10-11-13-16-20-27-36(2)32-33-38(44(40,41)37-28-22-19-23-29-37)30-21-17-14-12-15-18-25-34-42-39-31-24-26-35-43-39/h19,22-23,28-29,36,38-39H,3-18,20-21,24-27,30-35H2,1-2H3/t36-,38-,39+/m1/s1
Standard InChIKey (User Input) InChIKey=AAQYNZJOSYXHEI-CPDBGCJFSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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