Basic information
- CAS
257925-66-9- Standard SMILES
CC(=O)OC1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
MMMFFJBLSNOZRA-XGUBDDBMSA-N- Molecular formula
- C19H22O9
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.12638228
Names & identifiers
- Preferred name
- (4AR,7R,8S,8aR)-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triyl triacetate
- IUPAC
- [(4aR,7R,8S,8aR)-6,7-diacetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
- English name
- 1,2,3-TRI-O-ACETYL-4,6-O-BENZYLIDENE-D-GLUCOPYRANOSE
- Molecular formula
- C19H22O9
- Molecular weight
- 394.37
Names & synonyms
257925-66-9(4AR,7R,8S,8aR)-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triyl triacetateTri-O-acetyl-4,6-O-benzylidene-D-glucopyranoseSCHEMBL7563649MT041161,2,3-TRI-O-ACETYL-4,6-O-BENZYLIDENE-D-GLUCOPYRANOSE
Database identifiers
- CAS
257925-66-9- PubChem CID
- 70130621
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Boiling point
- 492.7 · 492.7±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
济南尚博生物科技有限公司+8615866703830 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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