Click to view a free sample

Predicted properties of the compound entered.

ID QKQICGJOAVOXPP-OVKFHSAPSA-N
Formula C41H69N3O9
IUPAC Name (1S,2R,5R,6S,7R,8R,11R,13R,17S,18R)-1'-benzyl-18-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-5-ethyl-6,7-dihydroxy-2,6,8,11,13,17-hexamethyl-4,14,16-trioxa-9-azaspiro[bicyclo[11.3.2]octadecane-15,4'-piperidine]-3-one
SMILES
Standard InChI
Standard InChIKey
Cite this record
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C41H69N3O9/c1-11-32-40(8,48)35(46)29(6)42-23-25(2)22-39(7)36(51-38-33(45)31(43(9)10)21-26(3)49-38)27(4)34(28(5)37(47)50-32)52-41(53-39)17-19-44(20-18-41)24-30-15-13-12-14-16-30/h12-16,25-29,31-36,38,42,45-46,48H,11,17-24H2,1-10H3/t25-,26-,27+,28-,29-,31+,32-,33-,34+,35-,36-,38+,39-,40-/m1/s1
Standard InChIKey (User Input) InChIKey=QKQICGJOAVOXPP-OVKFHSAPSA-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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

Mol-Instincts Database

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