Basic information
- CAS
5329-55-5- Standard SMILES
OCC(O)C1OC(Oc2ccccc2)C(O)C(O)C1O- InChIKey
UWYXADYVSWKWAX-UHFFFAOYSA-N- Molecular formula
- C13H18O7
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.10525291
Names & identifiers
- Preferred name
- Phenyl heptopyranoside
- IUPAC
- 2-(1,2-dihydroxyethyl)-6-phenoxyoxane-3,4,5-triol
- English name
- 2-(1,2-dihydroxyethyl)-6-phenoxy-oxane-3,4,5-triol
- Molecular formula
- C13H18O7
- Molecular weight
- 286.28
Names & synonyms
MLS002637627phenyl heptopyranoside5329-55-5PHENYL .BETA.-D-GLYCERO-D-GULO-HEPTOPYRANOSIDENSC2568CHEMBL2133936DTXSID60277493HMS3087F04NSC-2568NSC226856NSC-226856SMR001547154
Show more names
D-glycero-D-gulo-Heptopyranoside, phenyl, β- (8CI)2-(1,2-dihydroxyethyl)-6-phenoxy-oxane-3,4,5-triol
Database identifiers
- CAS
5329-55-5- PubChem CID
- 220198
- DTXSID
DTXSID60277493- ChEMBL
CHEMBL2133936
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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