Gamma-cyclodextrin

HCID 5287407
ノート反応

データを補完しています。通常は 1 分以内に完了します

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基本情報

CAS
17465-86-0
標準SMILES
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
InChIKey
GDSRMADSINPKSL-HSEONFRVSA-N
分子式
C48H80O40
平均分子量
1,297.1 g/mol
単同位体質量
1,296.42258736

概要

Gamma-cyclodextrin is a cycloamylose composed of eight alpha-(14) linked D-glucopyranose units.

名称と識別子

優先名称
Gamma-cyclodextrin
IUPAC
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol

名称と別名

gamma-Cyclodextrin17465-86-0Cyclooctaamylosegamma cyclodextrinCyclomaltooctaoseRingdex Cgamma-DextrinCyclooctapentyloseCavamax w8Cyclodextrin, gamma-DTXSID5047033KZJ0BYZ5VA
名称をさらに表示
Ins no.458Ins-458g-cyclodextrinDexy Pearl gamma-100DTXCID3027033E-458CHEBI:495056cyclomalto-octaose

データベース識別子

CAS
17465-86-0
PubChem CID
5287407
DTXSID
DTXSID5047033
ChEMBL
CHEMBL3182126
ChEBI
CHEBI:495056
UNII
KZJ0BYZ5VA
EC Number
241-482-4
Nikkaji
J245.584F

物性

構造計算による物性補完中

XLogP
-17.2
極性表面積
633 Ų
水素結合供与体数
24
水素結合受容体数
40
回転可能結合数
8
重原子数
88

実験および物理化学的性質

PolymersBiological Agents -> Polysaccharides
Physical DescriptionWhite to nearly white solid; Virtually odorless; [JECFA] White powder; [Sigma-Aldrich MSDS]
Collision Cross Section · 2 件

314.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5047033]

338.2 Ų [M+Cs]+ [CCS Type: DT; Method: stepped-field]

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 90.8% (109 of 120) of all reports.

Not Classified

Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: .gamma.-Cyclodextrin

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: Cyclooctapentylose (EC: 241-482-4)

Gamma-cyclodextrin: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - .gamma.-Cyclodextrin: Human health tier I assessment
Hazards Summary · 1 件

Not a skin irritant in rabbits; No evidence of skin sensitization in guinea pigs; No toxicologically significant effects observed in 13-week oral study of rats at doses up to 20% dietary (approximately 10,000 mg/kg/day); No evidence of developmental toxicity or teratogenicity in rats or rabbits; [JECFA] May cause irritation; [Sigma-Aldrich MSDS] See alpha-Cyclodextrin.

Hazard Classes and CategoriesNot Classified

毒性情報

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

用途と製造

UsesA cyclic saccharide composed of eight glucose units; Used as a carrier, flavor modifier, and stabilizer for foods; [JECFA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Use Classification · 3 件

Food Additives -> ADJUVANT; CARRIER; CARRIER_SOLVENT; STABILIZER -> JECFA Functional Classes

Food Additives -> ADJUVANT; CARRIER; CARRIER_SOLVENT; STABILIZER -> JECFA Functional Classes

Food Additives -> ADJUVANT; CARRIER; CARRIER_SOLVENT; STABILIZER -> JECFA Functional Classes

General Manufacturing Information.gamma.-Cyclodextrin: ACTIVE

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