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Predicted properties of the compound entered.

ID QJYNZEYHSMRWBK-NIKIMHBISA-N
Formula C41H32O26
IUPAC Name (2S,3R,4S,5R,6R)-2,3,5-tris[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-{[(3,4,5-trihydroxyphenyl)carbonyloxy]methyl}oxan-4-yl 3,4,5-trihydroxybenzoate
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
Standard InChIKey (User Input) InChIKey=QJYNZEYHSMRWBK-NIKIMHBISA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers [(2S,3R,4S,5R,6R)-2,3,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate | [(2S,3R,4S,5R,6R)-2,3,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate | 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-2,3,5-tris[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester | 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-2,3,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester | [(2S,3R,4S,5R,6R)-2,3,5-tris[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate | 14937-32-7 | 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose | C04576 | Pentagalloyl-beta-D-glucose | Pentagalloylglucose | AIDS070887 | MEGxp0_001051 | Pentagalloyl glucose | 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | CHEBI:18082 | AIDS-070887 | ACon1_000145 | 1,2,3,4,6-Penta-O-galloyl beta-glucopyranose | 1,2,3,4,6-Penta-O-galloyl-beta-D-glucose | 1,2,3,4,6-Penta-O-galloylglucose | 1,2,3,4,6-Pentagalloylglucose | 1,2,3,4,6-Pgg | beta-D-Glucopyranose pentakis(3,4,5-trihydroxybenzoate) | beta-Penta-O-galloyl-glucose | 5GG
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
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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 - - -
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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 - - -
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Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
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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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