기본 정보
- 표준 SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
GUBGYTABKSRVRQ-QRZGKKJRSA-N- 분자식
- C12H22O11
- 평균 분자량
- 342.3 g/mol
- 단동위원소 질량
- 342.11621152
개요
Beta-cellobiose is a cellobiose with beta configuration at the reducing-end glucose residue. It has a role as an epitope.
이름 및 식별자
- 우선 이름
- D-(+)-Cellobiose (CNP0226604.15)
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
이름 및 동의어
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-tetrahydropyran-3,4,5-triolGlyTouCan:G84824ZORefChem:1105354G84824ZOD-(+)-Cellobiose (CNP0226604.15)beta-CellobioseD-CellobioseD(+)-Cellobiose4-O-beta-D-glucopyranosyl-beta-D-glucopyranoseMFCD00136034Cellulose; ss-Amylose
이름 더 보기
a-Cellulose (powdered)beta-D-glucosyl-(1->4)-beta-D-glucose1-beta-D-Glucopyranosyl-4-beta-D-glucopyranoseAI3-18877D-Glucose, 4-O-.beta.-D-glucopyranosyl-UNII-BM3MOX055Hdelta-Cellobiose2rfy
데이터베이스 식별자
- CAS
13360-52-6、528-50-7- PubChem CID
- 10712
- DTXSID
DTXSID00873933- ChEBI
CHEBI:36217- Nikkaji
- J1.128.272E
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
Solubility111.0 mg/mL at 15 °C
Melting Point229 - 230 °C
Physical DescriptionSolid
Collision Cross Section
178.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
178.66 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
171.82 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
180.9 Ų [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
180.6 Ų [M+K]+
화학 및 산업
약리 정보
Tissue LocationsIntestine
Cellular LocationsCytoplasm
관련 반응
19건
연결된 노트
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