D-(+)-Cellobiose (CNP0226604.15)

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기본 정보

CAS: 13360-52-6
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

물성

구조 계산 물성보충 중

XLogP: -4.7
극성 표면적: 190 Å²
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 · 5건

178.1 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

178.66 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

171.82 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

180.9 Å² [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

180.6 Å² [M+K]+

화학 및 산업

약리 정보

Tissue LocationsIntestine

Cellular LocationsCytoplasm

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13360-52-6
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.