Basic information
- CAS
20274-94-6- Standard SMILES
Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
MVLBSNPILSLTFZ-UJPOAAIJSA-N- Molecular formula
- C13H18O6
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.11033829
Names & identifiers
- Preferred name
- beta-D-Glucopyranoside, 4-methylphenyl
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
- English name
- .beta.-D-Glucopyranoside, 4-methylphenyl
- Molecular formula
- C13H18O6
- Molecular weight
- 270.28
Names & synonyms
.beta.-D-glucopyranoside, 4-methylphenylRefChem:567550beta-D-Glucopyranoside, 4-methylphenyl20274-94-64-Methylphenyl beta-D-glucopyranoside4-Methylphenyl-beta-D-glucopyranosidep-Tolyl-beta-glucoside4-Methylphenyl hexopyranosideGlucopyranoside, 1-p-tolyl-, beta-D-beta-D-Glucopyranoside, 4-methylphenyl-SCHEMBL2565844SCHEMBL5027843
Show more names
DTXSID40942394MVLBSNPILSLTFZ-UJPOAAIJSA-Np-methylphenyl-1-O-beta-D-glucopyranoside4-menthylphenyl-1-O-beta-D-glucopyranoside(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenoxy)tetrahydropyran-3,4,5-triol
Database identifiers
- CAS
20274-94-6- PubChem CID
- 88447
- DTXSID
DTXSID40942394- Nikkaji
- J1.605.785A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
LogP-0.16
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information.beta.-D-Glucopyranoside, 4-methylphenyl: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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