Predicted properties of the compound entered.

ID QIZZXYDDYIYUAM-NHHCDJFXSA-N
Formula C45H76N2O12
IUPAC Name 1,5-bis({[(2R,3R,4S,5R,6S)-4-(dodecyloxy)-3,5,6-trihydroxyoxan-2-yl]methyl})-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C45H76N2O12/c1-3-5-7-9-11-13-15-17-19-23-27-56-42-38(50)34(58-44(54)40(42)52)30-46-32-25-21-22-26-33(32)47(37(49)29-36(46)48)31-35-39(51)43(41(53)45(55)59-35)57-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26,34-35,38-45,50-55H,3-20,23-24,27-31H2,1-2H3/t34-,35-,38-,39-,40-,41-,42+,43+,44+,45+/m1/s1
Standard InChIKey (User Input) InChIKey=QIZZXYDDYIYUAM-NHHCDJFXSA-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 -
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