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Basic information
- CAS
54959-69-2- Standard SMILES
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(O)=C4C(=O)C[C@H](C)[C@@H](OC6CCCCO6)[C@]4(C(=O)OC)O5)c(O)c3C(O)=C1C(=O)C[C@H](C)[C@H]2OC1CCCCO1- InChIKey
GRKJJUWORWSHJS-NMCHXRFNSA-N- Molecular formula
- C42H46O16
- Average molar mass
- 806.81 g/mol
Names & identifiers
- Preferred name
- 5-di-(2'-tetrahydropyranosyl)secalonic acid D
- English name
- 5-di-(2'-tetrahydropyranosyl)secalonic acid D
- Molecular formula
- C42H46O16
- Molecular weight
- 806.81
Names & synonyms
5-di-(2'-tetrahydropyranosyl)secalonic acid D[7,7'-Bi-4aH-xanthene]-4a,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',8,8'-tetrahydroxy-3,3'-dimethyl-9,9'-dioxo-4,4'-bis[(tetrahydro-2H-pyran-2-yl)oxy]-, dimethyl ester, (3S,3'S,4R,4'R,4aR,4'aR)- (9CI)
Database identifiers
- CAS
54959-69-2- PubChem CID
- 124202
- Nikkaji
- J1.348.446E
Properties
Physicochemical properties
- Boiling point
- 926.148 · 926.148±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.512 · 1.512±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.199 · 4.199±1.00(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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