Basic information
- CAS
58510-36-4- Standard SMILES
Cc1cc(C)c(S(=O)(=O)OCC2OC(OC3(COS(=O)(=O)c4c(C)cc(C)cc4C)OC(COS(=O)(=O)c4c(C)cc(C)cc4C)C(O)C3O)C(O)C(O)C2O)c(C)c1- InChIKey
HNFQIEFNUSOSHL-UHFFFAOYSA-N- Molecular formula
- C39H52O17S3
- Average molar mass
- 889 g/mol
- Monoisotopic mass
- 888.23666371
Names & identifiers
- Preferred name
- [6-[3,4-Dihydroxy-2,5-bis[(2,4,6-trimethylphenyl)sulfonyloxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,4,6-trimethylbenzenesulfonate
- IUPAC
- [6-[3,4-dihydroxy-2,5-bis[(2,4,6-trimethylphenyl)sulfonyloxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,4,6-trimethylbenzenesulfonate
Names & synonyms
58510-36-4NSC297292DTXSID20315769NSC-2972921,6-Bis-O-(2,4,6-trimethylbenzene-1-sulfonyl)hex-2-ulofuranosyl 6-O-(2,4,6-trimethylbenzene-1-sulfonyl)hexopyranoside
Database identifiers
- CAS
58510-36-4- PubChem CID
- 326264
- DTXSID
DTXSID20315769
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 14
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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