Basic information
- CAS
13308-13-9- Standard SMILES
CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O- InChIKey
YCPOZVAOBBQLRI-UHFFFAOYSA-N- Molecular formula
- C6H14O8S2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.01300975
Overview
See also: Treosulfan (annotation moved to).
Names & identifiers
- Preferred name
- Erythritol, 1,4-dimethanesulfonate, (meso)-
- IUPAC
- (2,3-dihydroxy-4-methylsulfonyloxybutyl) methanesulfonate
Names & synonyms
ERYTHRITOL, 1,4-DIMETHANESULFONATE, (meso)-RefChem:1084237Erythritol, 1,4-dimethanesulfonateDimesyl-meso-erythritol1,4-Bis(methylsulfonyloxy)threitolThreitol 1,4-bis(methanesulfonate)NCGC00181153-011,4-Di(methanesulfonate)erythritolCB 400691,4-Bis mesyl ester of D-threitol1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (R*,S*)-CB 40065
Show more names
CB 40067Erythritol, dimesyl-, meso-NSC 39069;Treosulphan13308-13-9NSC 94160Erythritol, 1,4-bis(methanesulfonate)Threitol-1,4-bismethanesulfonate, meso-1,4-Bis(methanesulfonyloxy)-2,3-butanediol
Database identifiers
- CAS
13308-13-9、1947-62-2、21106-06-9、299-75-2- PubChem CID
- 9296
- ChEMBL
CHEMBL2358556
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
DrugsPharmaceuticals
LogP-1.58
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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