기본 정보
- CAS
16462-44-5- 표준 SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
GUBGYTABKSRVRQ-CUHNMECISA-N- 분자식
- C12H22O11
- 평균 분자량
- 342.3 g/mol
- 단동위원소 질량
- 342.11621151
개요
Cellobiose is a glycosylglucose consisting of two glucose units linked via a beta(14) bond. It has a role as a plant metabolite.
이름 및 식별자
- 우선 이름
- Cellobiose
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
- 현지명
- 셀로비오스
- 영어명
- Cellobiose
- 분자식
- C12H22O11
- 분자량
- 342.3
이름 및 동의어
cellobioseD-(+)-Cellobiose528-50-7CelloseD-Glucosyl-beta-(1-4)-D-glucose4-beta-D-glucopyranosyl-D-glucopyranose1-beta-D-Glucopyranosyl-4-D-glucopyranoseCHEBI:170574-O-beta-D-Glucopyranosyl-D-glucose4-(beta-D-Glucosido)-D-glucoseGlyTouCan:G12460QSD-Glucose, 4-O-beta-D-glucopyranosyl-
이름 더 보기
셀로비오스D-Glucopyranose, 4-O-β-D-glucopyranosyl-
D-Glucopyranose, 4-O-beta-D-glucopyranosyl-(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolBM3MOX055HDTXSID3045984(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol4 O beta D Glucopyranosyl D glucopyranoseRefChem:1304762-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol
데이터베이스 식별자
- CAS
16462-44-5、528-50-7- PubChem CID
- 439178
- DTXSID
DTXSID001015527- ChEMBL
물성
구조 계산 물성
- XLogP
- -4.7
- 극성 표면적
- 190 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 382
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Disaccharides
SpringerMaterials PropertiesCrystal structure
Physical DescriptionSolid; [Merck Index] White solid; [Acros Organics MSDS]
물리화학적 성질
- 끓는 점
- 667.9 · 667.9±55.0 °C(Predicted)
- 밀도
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.02 · 12.02±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: D-Glucose, 4-O-.beta.-D-glucopyranosyl-
REACH registered substance: D-cellobiose (EC: 208-436-5)
D-Glucose, 4-O-.beta.-D-glucopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - D-Glucose, 4-O-.beta.-D-glucopyranosyl-: Human health tier I assessment
Hazards SummaryMay cause eye and respiratory tract irritation; [Acros Organics MSDS] See Cellulose and Sucrose.
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
UsesA unit of cellulose and lichenin; Not naturally occurring; [Merck Index]
General Manufacturing InformationD-Glucose, 4-O-.beta.-D-glucopyranosyl-: ACTIVE
공급사2 곳
A.J Chemicals[email protected]
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