[3,4-Diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-tetrahydropyran-2-yl]methyl acetate
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Basic information
- Standard SMILES
COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(=O)N(CCCl)N=O- InChIKey
BECQDORDVUUICT-UHFFFAOYSA-N- Molecular formula
- C16H24ClN3O10
- Average molar mass
- 453.8 g/mol
- Monoisotopic mass
- 453.1150217
Names & identifiers
- Preferred name
- [3,4-Diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-tetrahydropyran-2-yl]methyl acetate
- IUPAC
- [3,4-diacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxyoxan-2-yl]methyl acetate
Names & synonyms
NSC642909NSC642908CHEMBL1968159NSC-642908NSC-642909Methyl 3,4,6-tri-O-acetyl-2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxyhexopyranosideNCI60_014492NCI60_014493[3,4-diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-tetrahydropyran-2-yl]methyl acetate
Database identifiers
- PubChem CID
- 370165
- ChEMBL
CHEMBL1968159
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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