alpha-D-Glucopyranose,6-dideoxy-, 1,3,4-triacetate
Basic information
- CAS
74729-54-7- Standard SMILES
CC(=O)OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1NC(=O)N(CCCl)N=O- InChIKey
SCJPIULIASRFNK-UHFFFAOYSA-N- Molecular formula
- C15H22ClN3O9
- Average molar mass
- 423.8 g/mol
- Monoisotopic mass
- 423.104457
Names & identifiers
- Preferred name
- alpha-D-Glucopyranose,6-dideoxy-, 1,3,4-triacetate
- IUPAC
- [4,6-diacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methyloxan-3-yl] acetate
Names & synonyms
NSC-266514NSC266514CHEMBL428358.alpha.-D-Glucopyranose,6-dideoxy-, 1,3,4-triacetate
Database identifiers
- CAS
74729-54-7- PubChem CID
- 320190
- ChEMBL
CHEMBL428358
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Experimental & physicochemical properties
LogP1.32
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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