Basic information
- CAS
3634-02-4- Standard SMILES
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O- InChIKey
RNDXVZITNYDUMC-YLYXQHNGSA-N- Molecular formula
- C24H42O21
- Average molar mass
- 666.6 g/mol
- Monoisotopic mass
- 666.22185834
Overview
Mannotetraose is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- GlyTouCan:G33480TV
- IUPAC
- (2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- mannotetraose
- Molecular formula
- C24H42O21
- Molecular weight
- 666.58
Names & synonyms
RefChem:974996GlyTouCan:G33480TVG33480TV3634-02-4(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolalpha-MannotetraoseSCHEMBL31338612DTXSID60957682Hexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranosyl hexopyranosidealpha-D-Mannopyranose, O-alpha-D-mannopyranosyl-(1-2)-O-alpha-D-mannopyranosyl-(1-2)-O-alpha-D-mannopyranosyl-(1-2)-alpha-D-Mannopyranosyl-(1->2)-[alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl alpha-D-mannopyranosideα-D-Mannopyranose, O-α-D-mannopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→2)-
Database identifiers
- CAS
3634-02-4- PubChem CID
- 3082008
- DTXSID
DTXSID60957682
Properties
Computed structural properties
- XLogP
- -7.4
- Topological polar surface area
- 348 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 918
Physicochemical properties
- Boiling point
- 1054.5 · 1054.5±65.0 °C(Predicted)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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