Basic information
- CAS
82198-59-2- Standard SMILES
CC(=O)OC[C@@H]1OC(N(CCCl)CCCl)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
DJUWKQJNJVMFIU-KYLYMASSSA-N- Molecular formula
- C18H27Cl2NO9
- Average molar mass
- 472.3 g/mol
- Monoisotopic mass
- 471.1062868
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetate
- IUPAC
- [(2S,3S,4R,5S)-3,4,5-triacetyloxy-6-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate
Names & synonyms
82198-59-2N,N-Bis(2-chloroethyl)-L-glucopyranosylamine 2,3,4,6-tetraacetateNSC 342216L-Glucopyranosylamine, N,N-bis(2-chloroethyl)-, 2,3,4,6-tetraacetate
Database identifiers
- CAS
82198-59-2- PubChem CID
- 100671
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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