Isomaltohexose
Basic information
- CAS
6175-02-6- Standard SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[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
OITCGTKWORAONZ-UUCUGTBWSA-N- Molecular formula
- C36H62O31
- Average molar mass
- 990.9 g/mol
- Monoisotopic mass
- 990.32750517
Overview
RN given refers to (D-alpha)-isomer
Names & identifiers
- Preferred name
- Isomaltohexose
- IUPAC
- (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
- English name
- isomaltohexose
- Molecular formula
- C36H62O31
- Molecular weight
- 990.86
Names & synonyms
IsomaltohexoseIsomaltohexaose6175-02-6RefChem:149518O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-D-glucose(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal(Glc a1-6)5-Glcorb2893297SCHEMBL30468741TN8730OI15391O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D- glucopyranosyl-(1-6)-D-glucose
Show more names
Isomaltohexaose DP6 (>95% HPLC)Isomaltohexaose DP6 grafted on BSAIsomaltohexaose DP6 grafted on HSA
Properties
Computed structural properties
- XLogP
- -13.6
- Topological polar surface area
- 514 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 31
- Rotatable bonds
- 20
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,490
Physicochemical properties
- Boiling point
- 1359.9 · 1359.9±65.0 °C(Predicted)
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- pka
- 12.45 · 12.45±0.20(Predicted)
- LogP
- -11.211 · -11.211 (est)
Chemistry & industry
Applications
UsesIsomaltohexose can be used for content determination and scientific research.
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