Benzyl heptopyranoside
Basic information
- CAS
55644-79-6- Standard SMILES
OCC(O)C1OC(OCc2ccccc2)C(O)C(O)C1O- InChIKey
KQGDHQMGZYKKGX-UHFFFAOYSA-N- Molecular formula
- C14H20O7
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.12090297
Names & identifiers
- Preferred name
- Benzyl heptopyranoside
- IUPAC
- 2-(1,2-dihydroxyethyl)-6-phenylmethoxyoxane-3,4,5-triol
Names & synonyms
NSC22686055644-79-6Benzyl heptopyranosideSCHEMBL15537538DTXSID10310400NSC-226860
Database identifiers
- CAS
55644-79-6- PubChem CID
- 313250
- DTXSID
DTXSID10310400
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
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Related reactions
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Compound notes
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