Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-dodecanoylhexopyranoside
Basic information
- Standard SMILES
CCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O- InChIKey
GBALTAYLJYHGJL-UHFFFAOYSA-N- Molecular formula
- C22H40ClN3O8
- Average molar mass
- 510 g/mol
- Monoisotopic mass
- 509.2503929
Names & identifiers
- Preferred name
- Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-dodecanoylhexopyranoside
- IUPAC
- [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl dodecanoate
Names & synonyms
NSC642911CHEMBL2004206NSC-642911Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-dodecanoylhexopyranosideNCI60_014495[5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl dodecanoate
Database identifiers
- PubChem CID
- 370167
- ChEMBL
CHEMBL2004206
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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