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Predicted properties of the compound entered.

ID GENVMHDUKYANJO-DXVDGACZSA-N
Formula C41H68N2O7
IUPAC Name 2-(azetidin-3-yl)-1-[(2S)-2-{[(1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-8-[(1S)-1-ethoxy-2-hydroxy-2-methylpropyl]-11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0^{1,21}.0^{4,12}.0^{5,10}.0^{16,21}]docosan-18-yl]oxy}morpholin-4-yl]ethan-1-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C41H68N2O7/c1-9-47-35(37(5,6)46)26-18-24(2)32-33(49-26)34(45)39(8)28-11-10-27-36(3,4)29(12-13-40(27)23-41(28,40)15-14-38(32,39)7)50-31-22-43(16-17-48-31)30(44)19-25-20-42-21-25/h24-29,31-35,42,45-46H,9-23H2,1-8H3/t24-,26-,27+,28+,29+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1
Standard InChIKey (User Input) InChIKey=GENVMHDUKYANJO-DXVDGACZSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
This prediction is based on QSPR only and is the first basic approximate estimation.
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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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