Isomaltose

HCID 439193CAS 499-40-1

基本情報

標準SMILES
OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
DLRVVLDZNNYCBX-RTPHMHGBSA-N
分子式
C12H22O11
平均分子量
342.3 g/mol

概要

Isomaltose is a glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(16)-linkage. It has a role as a metabolite, a mouse metabolite and a human metabolite.

名称と識別子

優先名称
Isomaltose
IUPAC
(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

名称と別名

ISOMALTOSE499-40-1Brachiose6-O-alpha-D-glucopyranosyl-D-glucopyranoseCHEBI:28189(3R,4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxane-2,3,4,5-tetrolRefChem:923733GlyTouCan:G39326SA6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxane-2,3,4,5-tetrolDTXCID001770707G39326SA
名称をさらに表示
207-879-16-O-alpha-D-Glucopyranosyl-D-glucose67I334IX2MD-Glucose, 6-O-alpha-D-glucopyranosyl-DTXSID701015178Glc| cent1, 6Glc(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)METHYL)TETRAHYDRO-2H-PYRAN-2,3,4,5-TETRAOL(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

データベース識別子

CAS
499-40-1
PubChem CID
439193
ChEMBL
CHEMBL66675
ChEBI
CHEBI:28189
EC Number
207-879-1
Nikkaji
J38.558A

物性

構造計算による物性

XLogP
-4.7
極性表面積
190 Ų
水素結合供与体数
8
水素結合受容体数
11
回転可能結合数
4
重原子数
23

実験および物理化学的性質

Collision Cross Section · 3 件

171.96 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

180.77 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

180.1 Ų [M-H]-

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 99.3% (140 of 141) of all reports.

Not Classified

Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesNot Classified

関連反応

9 件

関連ノート

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