Methyl 4,6-O-benzylidene-alpha-D-galactopyranoside, bis(toluene-p-sulphonate)
Basic information
- CAS
15384-63-1- 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-BBNIJSTKSA-N- Molecular formula
- C28H30O10S2
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.1280395
Names & identifiers
- Preferred name
- Methyl 4,6-O-benzylidene-alpha-D-galactopyranoside, bis(toluene-p-sulphonate)
- IUPAC
- [(4aR,6S,7R,8S,8aS)-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
- methyl 4,6-O-benzylidene-alpha-D-galactopyranoside, bis(toluene-p-sulphonate)
- Molecular formula
- C28H30O10S2
- Molecular weight
- 590.67
Names & synonyms
15384-63-1Methyl 4,6-O-benzylidene-alpha-D-galactopyranoside, bis(toluene-p-sulphonate)EINECS 239-408-0[(4aR,6S,7R,8S,8aS)-6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonateSCHEMBL7149733DTXSID20934853NS00123537Methyl 4,6-O-benzylidene-2,3-bis-O-(4-methylbenzene-1-sulfonyl)-alpha-D-galactopyranosideMethyl 4,6-O-benzylidene-2,3-bis-O-(4-methylbenzene-1-sulfonyl)hexopyranosidemethyl 4,6-O-benzylidene-α-D-galactopyranoside, bis(toluene-p-sulphonate)Methyl 4-O,6-O-(phenylmethylene)-2-O,3-O-bis(4-methylphenylsulfonyl)-α-D-galactopyranosideα-D-Galactopyranoside, methyl 4,6-O-(phenylmethylene)-, bis(4-methylbenzenesulfonate) (9CI)
Database identifiers
- CAS
15384-63-1- PubChem CID
- 84886
- DTXSID
DTXSID20934853- EC Number
- 239-408-0
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
- Boiling point
- 737.763 · 737.763±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.436 · 1.436±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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