Basic information
- CAS
56879-48-2- Standard SMILES
CC(=O)OCC1OC(OC(C)=O)C(N(CCCl)CCCl)C(OC(C)=O)C1OC(C)=O- InChIKey
IBVNNVNKILNDQJ-UHFFFAOYSA-N- Molecular formula
- C18H27Cl2NO9
- Average molar mass
- 472.3 g/mol
- Monoisotopic mass
- 471.1062868
Names & identifiers
- Preferred name
- [3,4,6-Triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,6-triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate
Names & synonyms
NSC-344281[3,4,6-triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetateDTXSID30972302NSC344281D-Glucopyranose, 1,3,4,6-tetracetate1,3,4,6-Tetra-O-acetyl-2-[bis(2-chloroethyl)amino]-2-deoxyhexopyranose
Database identifiers
- CAS
56879-48-2- PubChem CID
- 335385
- DTXSID
DTXSID30972302
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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