Basic information
- CAS
546-35-0- Standard SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
ZJTKROCMWYBRPX-DFMCVVGJSA-N- Molecular formula
- C24H42O21
- Average molar mass
- 666.6 g/mol
- Monoisotopic mass
- 666.22185834
Overview
3F-alpha-D-Galactosylraffinose is an oligosaccharide.
Names & identifiers
- Preferred name
- O-alpha-D-Galactopyranosyl-(1->3)-beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Names & synonyms
Isolychnose546-35-0DTXSID30331475(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-tetrahydrofuran-2-yl)oxy-tetrahydropyran-2-yl)methoxy)tetrahydropyran-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triolGlyTouCan:G24138EZRefChem:1048468DTXCID80282569G24138EZO-alpha-D-Galactopyranosyl-(1->3)-beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside3F-alpha-D-GalactosylraffinoseC03989
Show more names
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triolAC1L98UACHEBI:1683SCHEMBL29684392Q27105491alpha-D-Gal-(1->6)-alpha-D-Glc-(1->2)-beta-D-Fru-(1↔3)-alpha-D-Galalpha-D-Galactopyranosyl-(1->3)-beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
Properties
Computed structural properties
- XLogP
- -8
- Topological polar surface area
- 348 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 933
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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