Basic information
- CAS
82219-35-0- Standard SMILES
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C(C)NC(=O)N(CCCl)N=O)C(OC(C)=O)C1OC(C)=O- InChIKey
JKOHDKIJHGSDDJ-UHFFFAOYSA-N- Molecular formula
- C20H29ClN4O12
- Average molar mass
- 552.9 g/mol
- Monoisotopic mass
- 552.1470501
Names & identifiers
- Preferred name
- [3,4,6-Triacetyloxy-5-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoylamino]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,6-triacetyloxy-5-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoylamino]oxan-2-yl]methyl acetate
Names & synonyms
NSC35656282219-35-0DTXSID80320238NSC-3565621,3,4,6-Tetra-O-acetyl-2-({N-[(2-chloroethyl)(nitroso)carbamoyl]alanyl}amino)-2-deoxyhexopyranose
Database identifiers
- CAS
82219-35-0- PubChem CID
- 337696
- DTXSID
DTXSID80320238
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 887
Experimental & physicochemical properties
LogP0.71
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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