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1,3,6-TRI-O-GALLOYL-B-D-GLUCOSE · CAS 18483-17-5 · C27H24O18. UNII NS00125054.
| CAS Registry Number | 18483-17-5 |
|---|---|
| PubChem CID | 250395 |
| Molecular formula | C27H24O18 |
| IUPAC name | [3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| UNII (FDA) | NS00125054 |
| Molecular Weight | 636.5 |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 10 |
| Exact Mass | 636.09626391 |
| Monoisotopic Mass | 636.09626391 |
| Topological Polar Surface Area | 311 |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
1,3,6-tris-o-(3,4,5-trihydroxybenzoyl)hexopyranose; [3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; (3,5-dihydroxy-4,6-bis((3,4,5-trihydroxybenzoyl)oxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoate; RefChem:1052629; DTXCID30209786; DTXSID20860224; NSC-69861; CHEMBL5193262; SCHEMBL15302682; NSC69861; GLUCOPYRANOSE,3,6-TRIGALLATE; NS00125054; 1,3,6-Tri-O-galloyl-beta-D-glucose [M+H]+; 1,3,6-Tri-O-galloylglucose - Analytical Standard; 1,3,6-Trigalloylglucose; 1,3,6-Tri-O-galloyl-beta-D-glucopyranose
CAS 18483-17-5; molecular formula C27H24O18; molecular weight — g/mol.
1,3,6-tris-o-(3,4,5-trihydroxybenzoyl)hexopyranose, [3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate, (3,5-dihydroxy-4,6-bis((3,4,5-trihydroxybenzoyl)oxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoate, RefChem:1052629, DTXCID30209786, DTXSID20860224.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.