Basic information
- CAS
6884-01-1- Standard SMILES
CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1- InChIKey
MPNMHFPNHIKNOA-GUONBBAESA-N- Molecular formula
- C28H30O10S2
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.1280395
Names & identifiers
- Preferred name
- [(4aR,6S,7R,8S,8aR)-6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate
- IUPAC
- [(4aR,6S,7R,8S,8aR)-6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate
- English name
- 4,6-O-benzylidene-alpha-D-glucopyranoside methyl bis(4-methylbenzenesulphonate)
- Molecular formula
- C28H30O10S2
- Molecular weight
- 590.66
Names & synonyms
6884-01-1Methyl 4,6-O-benzylidene-2,3-di-O-p-toluenesulfonyl-a-D-glucopyranoside[(4aR,6S,7R,8S,8aR)-6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate70774-92-4Methyl 4,6-O-benzylidene-2,3-di-O-(p-toluenesulfonyl)-a-D-glucopyranosideMETHYL 4,6-O-BENZYLIDENE-2,3-DI-O-(TOSYL)-ALPHA-D-GLUCOPYRANOSIDEmethyl 4,6-o-benzylidene-2,3-di-o-tosyl-alpha-d-glucopyranosideSCHEMBL5519961DTXSID901372980C28H30O10S2EINECS 229-987-8NSC 89882
Show more names
Methyl 4,6-O-Benzylidene-2,3-di-O-tosyl-α-D-glucopyranosideNSC89882MPNMHFPNHIKNOA-GUONBBAESA-N1-O-Methyl-4-O,6-O-benzylidene-α-D-glucopyranose 2,3-ditosylateMethyl 4,6-O-benzylidene-2,3-di-O-(p-toluenesulfonyl)-α-D-glucopyranosideMETHYL 4,6-O-BENZYLIDENE-2,3-BIS-O-[(4-METHYLPHENYL)SULFONYL]-ALPHA-D-GLUCOPYRANOSIDE
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 737.8 · 737.8±60.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane; Methanol
Chemistry & industry
Applications
UsesMethyl 4,6-O-Benzylidene-2,3-di-O-tosyl-α-D-glucopyranoside is an intermediate in the synthesis of Digoxigenin Tetradigitoxoside (D446510), a Digoxin (Dx) (D446575) impurity.
Suppliers8 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
BOC Sciences16314854226 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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