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Predicted properties of the compound entered.

ID GFEWKUPUJDGEKH-GBPPFTRRSA-N
Formula C42H52N2O16
IUPAC Name methyl (1R,2S,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-{[(2S,6R)-3-amino-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C42H52N2O16/c1-8-42(53)15-27(30-19(34(42)40(52)54-7)11-20-31(36(30)50)37(51)33-24(46)10-9-23(45)32(33)35(20)49)58-28-13-22(44(5)6)38(17(3)55-28)59-29-14-26(48)39(18(4)56-29)60-41-21(43)12-25(47)16(2)57-41/h9-12,16-18,22,26-29,34,38-39,41,45-46,48,50,53H,8,13-15,43H2,1-7H3/t16-,17+,18+,22+,26+,27+,28+,29+,34+,38-,39-,41-,42+/m1/s1
Standard InChIKey (User Input) InChIKey=GFEWKUPUJDGEKH-GBPPFTRRSA-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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