Basic information
- Standard SMILES
COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O- InChIKey
QJVXKWHHAMZTBY-UHFFFAOYSA-N- Molecular formula
- C17H24O9
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.14203234
Overview
2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol is a glycoside.
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
- IUPAC
- 2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
Names & synonyms
ChemDiv1_018737Oprea1_201128DivK1c_003521orb1304229orb3140969DTXSID60859218CHEBI:182936HMS3352C19s38412-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triolCDS1_0024814-(3-Hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenyl hexopyranoside
Show more names
(E)-4-[-3-Hydroxy-1-propenyl]-2,6-dimethoxyphenyl-beta-D-glucopyranoside4-[(1Z)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl hexopyranoside
Database identifiers
- PubChem CID
- 323959
- DTXSID
DTXSID60859218- ChEBI
CHEBI:182936
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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