기본 정보
- 표준 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- 분자식
- C48H80O40
- 평균 분자량
- 1,297.1 g/mol
- 단동위원소 질량
- 1,296.42258736
개요
Gamma-cyclodextrin is a cycloamylose composed of eight alpha-(14) linked D-glucopyranose units.
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
gamma-Cyclodextrin17465-86-0Cyclooctaamylosegamma cyclodextrinCyclomaltooctaoseRingdex Cgamma-DextrinCyclooctapentyloseCavamax w8Cyclodextrin, gamma-DTXSID5047033KZJ0BYZ5VA
이름 더 보기
Ins no.458Ins-458g-cyclodextrinDexy Pearl gamma-100DTXCID3027033E-458CHEBI:495056cyclomalto-octaose
데이터베이스 식별자
- CAS
17465-86-0- PubChem CID
- 5287407
- DTXSID
DTXSID5047033- ChEMBL
CHEMBL3182126- ChEBI
CHEBI:495056- UNII
- KZJ0BYZ5VA
- EC Number
- 241-482-4
- Nikkaji
- J245.584F
물성
구조 계산 물성
- XLogP
- -17.2
- 극성 표면적
- 633 Ų
- 수소 결합 공여자 수
- 24
- 수소 결합 수용자 수
- 40
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 88
- 형식 전하
- 0
- 복잡도
- 1,720
실험 및 물리화학적 성질
PolymersBiological Agents -> Polysaccharides
Physical DescriptionWhite to nearly white solid; Virtually odorless; [JECFA] White powder; [Sigma-Aldrich MSDS]
Collision Cross Section
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]
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
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
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
화학 및 산업
용도 및 제조
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
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
관련 반응
1건
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