Basic information
- CAS
179465-88-4- Standard SMILES
O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)[C@H](OC(=O)c2cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)[C@@H](OC(=O)c2cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c2)[C@@H]1OC(=O)c1cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c1)c1cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
LBWYLPIZCCOUQX-MWKYKVQMSA-A- Molecular formula
- C41H17Na15O71S15
- Average molar mass
- 2,471.4 g/mol
- Monoisotopic mass
- 2,469.1995703
Overview
a sulfated pentagalloyl glucose; structure given in first source
Names & identifiers
- Preferred name
- Y-Art-3
- IUPAC
- pentadecasodium;[2,3-disulfonatooxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trisulfonatooxybenzoyl)oxy]oxan-2-yl]methoxycarbonyl]phenyl] sulfate
- English name
- Y-ART 3
- Molecular formula
- C41H17O11R15
- Molecular weight
- 685.574
Names & synonyms
Y-Art-3179465-88-4Y-Art 3RefChem:934388Sulfated pentagalloyl glucosePentakis(3,4,5-trihydroxybenzoate)-beta-D-glucopyranose hydrogen sulfate, sodium saltpentadecasodium;[2,3-disulfonatooxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trisulfonatooxybenzoyl)oxy]oxan-2-yl]methoxycarbonyl]phenyl] sulfatebeta-D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate), hydrogen sulfate, sodium saltPentadecasodium[2,3-disulfonatooxy-5-[(2S,3R,4S,5R,6R)-2,3,5-tris[(3,4,5-trisulfonatooxybenzoyl)oxy]-6-[(3,4,5-trisulfonatooxybenzoyl)oxymethyl]oxan-4-yl]oxycarbonylphenyl]sulfate
Database identifiers
- CAS
179465-88-4- PubChem CID
- 73143
Properties
Computed structural properties
- Topological polar surface area
- 1,260 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 71
- Rotatable bonds
- 31
- Heavy atoms
- 142
- Formal charge
- 0
- Complexity
- 5,410
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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