Basic information
- CAS
403857-21-6- Standard SMILES
O=C(OCc1ccccc1)c1c(O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
GTFARABJCNHOHO-UVNCQSPWSA-N- Molecular formula
- C20H22O9
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.12638228
Overview
benzyl 2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate has been reported in Sambucus nigra with data available.
Names & identifiers
- Preferred name
- Benzyl 2-O-Beta-D-Glucopyranosyl-2,6-Dihydroxybenzoate
- IUPAC
- benzyl 2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
- English name
- Benzyl 2-hydroxy-6-(beta-glucosyloxy)benzoate
- Molecular formula
- C20H22O9
- Molecular weight
- 406.38
Names & synonyms
benzyl 2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoateBenzyl 2-O-beta-D-glucopyranosyl-2,6-dihydroxybenzoatebenzyl 2-hydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybenzoateRefChem:916985benzyl 2-O-Glc-2HOBzCOOH403857-21-6Benzyl 2-hydroxy-6-(beta-glucosyloxy)benzoatePhenylmethyl 2-(|A-D-glucopyranosyloxy)-6-hydroxybenzoatebenzoic acid, 2-(beta-D-glucopyranosyloxy)-6-hydroxy-, phenylmethyl esterorb1681055CHEMBL3092661DTXSID201199565
Show more names
Benzyl2-hydroxy-6-(β-glucosyloxy)benzoateBenzyl 2-hydroxy-6-(β-glucosyloxy)benzoateBenzyl2-O-β-D-glucopyranosyl26-dihydroxybenzoatePhenylmethyl 2-(β-D-glucopyranosyloxy)-6-hydroxybenzoateBenzoic acid, 2-(β-D-glucopyranosyloxy)-6-hydroxy-, phenylmethyl ester
TN5679AKOS040762840CS-0999860Benzyl 2-hydroxy-6-(??-glucosyloxy)benzoateBenzyl 2-(beta-D-glucopyranosyloxy)-6-hydroxybenzoatePhenylmethyl 2-(I(2)-D-glucopyranosyloxy)-6-hydroxybenzoateBenzoic acid, 2-(|A-D-glucopyranosyloxy)-6-hydroxy-, phenylmethyl esterbenzyl 2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesPhenylmethyl 2-(β-D-glucopyranosyloxy)-6-hydroxybenzoate is a Phenols product that can be isolated from the herbs of Endlicheria dysodantha[1].
Suppliers9 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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