Basic information
- CAS
74751-37-4- Standard SMILES
COC1OC(COC(C)=O)C(OC(C)=O)C(NC(=O)N(CCCl)N=O)C1OC(C)=O- InChIKey
IQPDOPNOTVECJO-UHFFFAOYSA-N- Molecular formula
- C16H24ClN3O10
- Average molar mass
- 453.8 g/mol
- Monoisotopic mass
- 453.1150217
Names & identifiers
- Preferred name
- beta-D-Glucopyranoside, 2,4,6-triacetate
- IUPAC
- [3,5-diacetyloxy-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxyoxan-2-yl]methyl acetate
Names & synonyms
NSC264402CHEMBL12602NSC-264402.beta.-D-Glucopyranoside, 2,4,6-triacetate
Database identifiers
- CAS
74751-37-4- PubChem CID
- 429779
- ChEMBL
CHEMBL12602
Properties
Computed structural properties
- 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
Experimental & physicochemical properties
LogP0.67
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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