Basic information
- CAS
82219-37-2- Standard SMILES
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C(NC(=O)N(CCCl)N=O)C(C)C)C(OC(C)=O)C1OC(C)=O- InChIKey
TZRIHHHESMIOFQ-UHFFFAOYSA-N- Molecular formula
- C22H33ClN4O12
- Average molar mass
- 581 g/mol
- Monoisotopic mass
- 580.1783502
Names & identifiers
- Preferred name
- [3,4,6-Triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetate
Names & synonyms
82219-37-2NSC356560[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanoyl]amino]oxan-2-yl]methyl acetateDTXSID20320237NSC-3565601,3,4,6-Tetra-O-acetyl-2-({N-[(2-chloroethyl)(nitroso)carbamoyl]valyl}amino)-2-deoxyhexopyranose
Database identifiers
- CAS
82219-37-2- PubChem CID
- 337694
- DTXSID
DTXSID20320237
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 933
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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