1-O-alpha-D-Glucopyranosyl-D-mannitol

HCID 88735CAS 20942-99-8

基本情報

標準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
分子式: C12H24O11
平均分子量: 344.31 g/mol
単同位体質量: 344.13186159

概要

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.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -5.2
極性表面積: 201 Å²
水素結合供与体数: 9
水素結合受容体数: 11
回転可能結合数: 8
重原子数: 23
形式電荷: 0
複雑度: 343

安全と法規制

GHS分類

GHS ClassificationNot Classified

危険有害性情報

Regulatory Information · 2 件

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

化学と産業

用途と製造

General Manufacturing InformationD-Mannitol, 1-O-.alpha.-D-glucopyranosyl-: ACTIVE