Salprotoside
Basic information
- CAS
33779-37-2- Standard SMILES
CCCO[C@H]1[C@@H]([C@@H](COC(=O)c2ccccc2O)OC(=O)c2ccccc2O)OC(OCC)[C@@H]1O- InChIKey
VKRBJYIBLRSBNI-KOGKCOTNSA-N- Molecular formula
- C25H30O10
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.18389715
Names & identifiers
- Preferred name
- Salprotoside
- IUPAC
- [(2R)-2-[(2R,3R,4R)-5-ethoxy-4-hydroxy-3-propoxyoxolan-2-yl]-2-(2-hydroxybenzoyl)oxyethyl] 2-hydroxybenzoate
- English name
- Salprotoside
- Molecular formula
- C25H30O10
- Molecular weight
- 490.5
Names & synonyms
SalprotosideSalprotosidoSalprotoside [INN]Salprotosidum33779-37-2UNII-8523JDI86A8523JDI86AEthyl 3-O-propyl-D-glucofuranoside 5,6-disalicylate1-O-Ethyl-3-O-propyl-D-glucofuranos-5,6-diyl disalicylatRefChem:181004[(2R)-2-[(2R,3R,4R)-5-ethoxy-4-hydroxy-3-propoxyoxolan-2-yl]-2-(2-hydroxybenzoyl)oxyethyl] 2-hydroxybenzoateSCHEMBL2108936
Show more names
Ethyl 3-O-propyl-5-O,6-O-disalicyloyl-D-glucofuranoside
CHEMBL3989796DTXSID801043354NS00126014Q27269576
Database identifiers
- CAS
33779-37-2- PubChem CID
- 3058744
- DTXSID
DTXSID801043354- ChEMBL
CHEMBL3989796- UNII
- 8523JDI86A
- Nikkaji
- J37.132G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 673
Physicochemical properties
- Boiling point
- 639.263 · 639.263±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.358 · 1.358±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.882 · 7.882±0.30(predicted)
- FDA UNII
- 8523 JDI86A · 8523JDI86A
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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