Basic information
- Standard SMILES
CS(=O)(=O)OCCCC(COS(C)(=O)=O)NC(=O)OCc1ccccc1- InChIKey
KCFOBEWHXVUCNN-UHFFFAOYSA-N- Molecular formula
- C15H23NO8S2
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.08650904
Names & identifiers
- Preferred name
- [5-Methylsulfonyloxy-4-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
- IUPAC
- [5-methylsulfonyloxy-4-(phenylmethoxycarbonylamino)pentyl] methanesulfonate
Names & synonyms
SCHEMBL5141853
Database identifiers
- PubChem CID
- 22016982
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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