Basic information
- Standard SMILES
CCCC(CO)(CO)CO.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O- InChIKey
OWKLXMZHQUGIBC-UHFFFAOYSA-N- Molecular formula
- C10H28O12S3
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-2-n-propyl propan-1,3-diol trimethanesulphonate
- IUPAC
- 2-(hydroxymethyl)-2-propylpropane-1,3-diol;methanesulfonic acid
Names & synonyms
SCHEMBL9256543OWKLXMZHQUGIBC-UHFFFAOYSA-N2-hydroxymethyl-2-n-propylpropan-1,3-diol trimethanesulphonate2-hydroxymethyl-2-n-propyl propan-1,3-diol trimethanesulphonate
Database identifiers
- PubChem CID
- 86744882
Properties
Computed structural properties
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 163
Related reactions
3 records
Compound notes
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