Basic information
- CAS
98911-18-3- Standard SMILES
OC[C@H]1O[C@@H](ONc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
CTWUVINAVVPLRM-ZIQFBCGOSA-N- Molecular formula
- C12H17NO6
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.10558726
Names & identifiers
- Preferred name
- beta-D-Glucopyranose, 1-deoxy-1-((phenylamino)oxy)-
- IUPAC
- (2S,3R,4S,5S,6R)-2-anilinooxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
beta-D-Glucopyranose, 1-deoxy-1-((phenylamino)oxy)-98911-18-31-Deoxy-1-((phenylamino)oxy)-beta-D-GlucopyranoseDTXSID402438731-O-Anilino-beta-D-glucopyranose
Database identifiers
- CAS
98911-18-3- PubChem CID
- 175808
- DTXSID
DTXSID40243873
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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