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Predicted properties of the compound entered.

ID QKLIVJMICPFAIG-LJVZRWRWSA-N
Formula C47H55N5O5
IUPAC Name methyl 3-[(22S,23S)-4-butyl-17-[(1S)-1-[(3,5-dimethylphenyl)methoxy]ethyl]-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentaazahexacyclo[19.2.1.1^{6,9}.1^{11,14}.1^{16,19}.0^{2,7}]heptacosa-1,6,9(27),10,12,14(26),15,17,19,21(24)-decaen-23-yl]propanoate
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C47H55N5O5/c1-11-13-16-52-46(54)42-29(8)37-21-38-32(12-2)26(5)34(48-38)22-39-41(30(9)57-23-31-18-24(3)17-25(4)19-31)28(7)36(49-39)20-35-27(6)33(14-15-40(53)56-10)44(50-35)43(47(52)55)45(42)51-37/h17-22,27,30,33,49,51H,11-16,23H2,1-10H3/b34-22-,35-20-,36-20-,37-21-,38-21-,39-22-,44-43+/t27-,30-,33-/m0/s1
Standard InChIKey (User Input) InChIKey=QKLIVJMICPFAIG-LJVZRWRWSA-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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