Basic information
- CAS
191532-27-1- Standard SMILES
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Cl- InChIKey
UVZTYTSTGUYXGB-IMGJLKSQSA-N- Molecular formula
- C26H36ClNO16
- Average molar mass
- 654 g/mol
- Monoisotopic mass
- 653.1722618
Names & identifiers
- Preferred name
- I+/--D-Glucopyranosyl chloride, 2-(acetylamino)-2-deoxy-4-O-(2,3,4,6-tetra-O-acetyl-I(2)-D-glucopyranosyl)-, 3,6-diacetate
- IUPAC
- [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-chlorooxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
Names & synonyms
DTXSID201106255191532-27-1I+/--D-Glucopyranosyl chloride, 2-(acetylamino)-2-deoxy-4-O-(2,3,4,6-tetra-O-acetyl-I(2)-D-glucopyranosyl)-, 3,6-diacetate
Database identifiers
- CAS
191532-27-1- PubChem CID
- 165367192
- DTXSID
DTXSID201106255
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 17
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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