Basic information
- CAS
20942-99-8- Standard SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
SERLAGPUMNYUCK-DCUALPFSSA-N- Molecular formula
- C12H24O11
- Average molar mass
- 344.31 g/mol
- Monoisotopic mass
- 344.13186159
Overview
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.
Names & identifiers
- Preferred name
- 1-O-alpha-D-Glucopyranosyl-D-mannitol
- IUPAC
- (2R,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-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
20942-99-8glucosylmannitol1-O-alpha-D-Glucopyranosyl-D-mannitolG97P6S66E9D-Mannitol, 1-O-alpha-D-glucopyranosyl-CHEBI:192265DTXSID60872321RefChem:435101GlyTouCan:G41158BGDTXCID607536-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)hexane-1,2,3,4,5-pentolG41158BG
Show more names
Einecs 244-122-4GLUCOPYRANOSYLMANNITOLResorcinol Impurity 161-O-α-D-Glucopyranosyl-D-mannitol6-O-(α-D-Glucopyranosyl)-D-mannitolD-Mannitol, 1-O-α-D-glucopyranosyl-
244-122-4Palatinit1-O-(a-Glucopyranosyl)-D-mannitol(2R,3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol1-O-a-D-glucopyranosyl-D-mannitol(2R,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentolD-Mannitol, 1-O-.alpha.-D-glucopyranosyl-Isomaltidex
Database identifiers
- CAS
20942-99-8、64519-82-0- PubChem CID
- 88735
- DTXSID
DTXSID60872321- ChEMBL
CHEMBL3187473- ChEBI
CHEBI:150326- UNII
- G97P6S66E9
- EC Number
- 244-122-4
- Nikkaji
- J225.364J
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
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
- EPA Substance Registry System
- 1 · D-Mannitol, 1-O-.alpha.-D-glucopyranosyl- (20942-99-8)
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: D-Mannitol, 1-O-.alpha.-D-glucopyranosyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationIMAP assessments - D-Mannitol, 1-O-.alpha.-D-glucopyranosyl-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationD-Mannitol, 1-O-.alpha.-D-glucopyranosyl-: ACTIVE
Applications
Uses1-O-a-D-Glucopyranosyl-D-mannitol is used in the nutritional and biochemical investigations on disaccharide alcohols.
Suppliers9 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
BOC Sciences16314854226 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Aladdin Scientific[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Wuhan Fortuna Chemical Co., Ltd+86-27-59207850 · [email protected]
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
1 records
Compound notes
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