Methyl 2-o-benzoyl-3,4-di-s-benzoyl-3,4-dithiopentopyranoside
Basic information
- CAS
10225-79-3- Standard SMILES
COC1OCC(SC(=O)c2ccccc2)C(SC(=O)c2ccccc2)C1OC(=O)c1ccccc1- InChIKey
QONVZZWKEDZSQX-UHFFFAOYSA-N- Molecular formula
- C27H24O6S2
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.10143083
Names & identifiers
- Preferred name
- Methyl 2-o-benzoyl-3,4-di-s-benzoyl-3,4-dithiopentopyranoside
- IUPAC
- [4,5-bis(benzoylsulfanyl)-2-methoxyoxan-3-yl] benzoate
Names & synonyms
10225-79-3methyl 2-o-benzoyl-3,4-di-s-benzoyl-3,4-dithiopentopyranosideNSC99190DTXSID30907295NSC-99190
Database identifiers
- CAS
10225-79-3- PubChem CID
- 264207
- DTXSID
DTXSID30907295
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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