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

HCID 10712CAS 13360-52-6

基本情報

標準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
分子式
C12H22O11
平均分子量
342.3 g/mol
単同位体質量
342.11621152

概要

Beta-cellobiose is a cellobiose with beta configuration at the reducing-end glucose residue. It has a role as an epitope.

名称と識別子

優先名称
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

名称と別名

(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
名称をさらに表示
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

データベース識別子

CAS
13360-52-6、528-50-7
PubChem CID
10712
DTXSID
DTXSID00873933
ChEBI
CHEBI:36217
Nikkaji
J1.128.272E

物性

構造計算による物性

XLogP
-4.7
極性表面積
190 Ų
水素結合供与体数
8
水素結合受容体数
11
回転可能結合数
4
重原子数
23

実験および物理化学的性質

Solubility111.0 mg/mL at 15 °C
Melting Point229 - 230 °C
Physical DescriptionSolid
Collision Cross Section · 5 件

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]+

化学と産業

薬理情報

Tissue LocationsIntestine
Cellular LocationsCytoplasm

関連反応

19 件

関連ノート

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