Seprilose
Basic information
- CAS
133692-55-4- Standard SMILES
CCCCCCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO- InChIKey
GWSUUEYOBZZHIJ-UXXRCYHCSA-N- Molecular formula
- C16H30O6
- Average molar mass
- 318.41 g/mol
- Monoisotopic mass
- 318.20423867
Names & identifiers
- Preferred name
- Seprilose
- IUPAC
- (1R)-1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
- English name
- Seprilose
- Molecular formula
- C16H30O6
- Molecular weight
- 318.407
Names & synonyms
SEPRILOSE133692-55-4(1R)-1-[(3aR,5R,6S,6aR)-6-heptoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diolGW-801265764EUK72N3-O-Heptyl-1,2-O-isopropylidene-alpha-D-glucofuranoseGW80126Seprilose [USAN:INN]SeprilosaUNII-5764EUK72NSEPRILOSE [INN]Seprilose (USAN/INN)
Show more names
GW 80126α-D-Glucofuranose, 3-O-heptyl-1,2-O-(1-methylethylidene)-3-O-Heptyl-1,2-O-(1-methylethylidene)-alpha-D-glucofuranose
SEPRILOSE [USAN]SEPRILOSE [WHO-DD]SCHEMBL636340orb1699326CHEMBL3989666DTXSID90158322AKOS040749482CS-0026163
Database identifiers
- CAS
133692-55-4- PubChem CID
- 60818
- DTXSID
DTXSID90158322- ChEMBL
CHEMBL3989666- UNII
- 5764EUK72N
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 436.3 · 436.3±45.0 °C(Predicted)
- Density
- 1.14 · 1.14
- pka
- 13.51 · 13.51±0.20(Predicted)
- FDA UNII
- 5764 EUK72N · 5764EUK72N
Chemistry & industry
Applications
UsesAntirheumatic.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…