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Predicted properties of the compound entered.

ID QKNWYAFPLOJAJI-VFNZBSSOSA-N
Formula C29H35N3O5
IUPAC Name (R)-[(7R,12S,13R)-6-acetyl-9,14-dioxo-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadecan-13-yl](phenyl)methyl acetate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C29H35N3O5/c1-20(33)32-16-10-9-15-31-19-24(18-30-26(35)17-25(32)22-11-5-3-6-12-22)27(29(31)36)28(37-21(2)34)23-13-7-4-8-14-23/h3-8,11-14,24-25,27-28H,9-10,15-19H2,1-2H3,(H,30,35)/t24-,25+,27+,28-/m0/s1
Standard InChIKey (User Input) InChIKey=QKNWYAFPLOJAJI-VFNZBSSOSA-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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