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Predicted properties of the compound entered.

ID QKDBAIXISXHUDJ-WIEHEXNQSA-N
Formula C38H64FNO6
IUPAC Name (1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-8-[(1S)-1-ethoxy-2-hydroxy-2-methylpropyl]-18-{[(2S)-4-(2-fluoroethyl)morpholin-2-yl]oxy}-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan-11-ol
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C38H64FNO6/c1-9-43-32(34(5,6)42)24-20-23(2)29-30(45-24)31(41)36(8)26-11-10-25-33(3,4)27(46-28-21-40(17-16-39)18-19-44-28)12-13-37(25)22-38(26,37)15-14-35(29,36)7/h23-32,41-42H,9-22H2,1-8H3/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,35-,36-,37-,38+/m1/s1
Standard InChIKey (User Input) InChIKey=QKDBAIXISXHUDJ-WIEHEXNQSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
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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Mol-Instincts Database

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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -