1,6-Dideoxy-1,6-bis((2-((methanesulfonyl)oxy)ethyl)amino)hexitol--hydrogen chloride (1/1)
Basic information
- CAS
1446-35-1- Standard SMILES
CS(=O)(=O)OCCNCC(O)C(O)C(O)C(O)C[NH2+]CCOS(C)(=O)=O.[Cl-]- InChIKey
MXFOQZLUCVHVRD-UHFFFAOYSA-N- Molecular formula
- C12H29ClN2O10S2
- Average molar mass
- 461 g/mol
- Monoisotopic mass
- 460.0952152
Names & identifiers
- Preferred name
- 1,6-Dideoxy-1,6-bis((2-((methanesulfonyl)oxy)ethyl)amino)hexitol--hydrogen chloride (1/1)
- IUPAC
- 2-methylsulfonyloxyethyl-[2,3,4,5-tetrahydroxy-6-(2-methylsulfonyloxyethylamino)hexyl]azanium chloride
Names & synonyms
1446-35-1DTXSID309323451,6-Dideoxy-1,6-bis((2-((methanesulfonyl)oxy)ethyl)amino)hexitol--hydrogen chloride (1/1)RefChem:1053502DTXCID301361038D-Mannitol, 1,6-dideoxy-1,6-bis((2-hydroxyethyl)amino)-, 1,6-dimethanesulfonate (ester), dihydrochlorideR 49
Database identifiers
- CAS
1446-35-1- PubChem CID
- 15054
Properties
Computed structural properties
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
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Compound notes
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