1-O-Hexopyranosylhexitol
Basic information
- CAS
20942-99-8- Standard SMILES
OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O- InChIKey
SERLAGPUMNYUCK-UHFFFAOYSA-N- Molecular formula
- C12H24O11
- Average molar mass
- 344.31 g/mol
- Monoisotopic mass
- 344.13186158
Names & identifiers
- Preferred name
- 1-O-Hexopyranosylhexitol
- IUPAC
- 6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
- English name
- 1-O-alpha-D-Glucopyranosyl-D-mannitol
- Molecular formula
- C12H24O11
- Molecular weight
- 344.31
Names & synonyms
1-O-HexopyranosylhexitolDTXSID10860798850347-32-9RefChem:232520DTXCID60201172Isomaleone glycol6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentolglucosylsorbitol6-O--D-Glucopyranosyl-D-glucitolalpha-D-Glcp-(1->6)-D-glucitol1-O-beta-D-glucopyranosyl-D-mannitolIsomalt CRS
Show more names
Einecs 244-122-4GLUCOPYRANOSYLMANNITOLResorcinol Impurity 161-O-(a-Glucopyranosyl)-D-mannitol1-O-A-D-GLUCOPYRANOSYL-D-MANNITOL1-O-α-D-Glucopyranosyl-D-mannitol6-O-(α-D-Glucopyranosyl)-D-mannitolD-Mannitol, 1-O-α-D-glucopyranosyl-1-O-alpha-D-Glucopyranosyl-D-mannitolD-Mannitol, 1-o-alpha-D-glucopyranosyl-
6-O-alpha-D-glucopyranosyl-D-sorbitolISOMALTITOLE6-O-?-D-Glucopyranosyl-D-glucitol; Palatinitol;SCHEMBL22516557IsomaltitolMannitol EP impurity AHMS5086J10GPMLMFA13010063
Database identifiers
- CAS
20942-99-8、850347-32-9- PubChem CID
- 4454759
- DTXSID
DTXSID10860798
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty acyl glycosides [FA13] -> Fatty acyl glycosides of mono- and disaccharides [FA1301]
Melting Point122 - 125 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 162 °C · 162°C
- alpha
- 20 · [α]D20 +88～+94°(c=4,dil.NH4OH)
- Boiling point
- 788.5 · 788.5±60.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 12.89 · 12.89±0.70(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 97 P6S66E9 · G97P6S66E9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses1-O-a-D-Glucopyranosyl-D-mannitol is used in the nutritional and biochemical investigations on disaccharide alcohols.
Additional notes
DefinitionChEBI: Isomalt is a diastereoisomeric mixture composed of 1-O-alpha-D-glucopyranosyl-D-mannitol dihydrate and 6-O-alpha-D-glucopyranosyl-D-glucitol in a 1:1 ratio. It is used in the food industry as a sugar substitute and in the pharmaceutical industry as a tabletting excipient. It has a role as a sweetening agent, an excipient and a plasticiser. It contains a 6-O-alpha-D-glucopyranosyl-D-glucitol and a 1-O-alpha-D-glucopyranosyl-D-mannitol dihydrate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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