Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-tetradecanoylhexopyranoside
Basic information
- Standard SMILES
CCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O- InChIKey
MZTNCZVZALGRIZ-UHFFFAOYSA-N- Molecular formula
- C24H44ClN3O8
- Average molar mass
- 538.1 g/mol
- Monoisotopic mass
- 537.2816931
Names & identifiers
- Preferred name
- Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-tetradecanoylhexopyranoside
- IUPAC
- [5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] tetradecanoate
Names & synonyms
NSC642913CHEMBL1976272NSC-642913Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-tetradecanoylhexopyranosideNCI60_014497[5-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] tetradecanoate
Database identifiers
- PubChem CID
- 370169
- ChEMBL
CHEMBL1976272
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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