셀로비온산

Cellobionic acid

HCID 6452827

기본 정보

CAS: 534-41-8
표준 SMILES: O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIKey: JYTUSYBCFIZPBE-ZNLUKOTNSA-N
분자식: C12H22O12
평균 분자량: 358.3 g/mol
단동위원소 질량: 358.11112614

개요

Cellobionic acid is a disaccharide consisting beta-D-glucosyl and D-gluconic acid residues joined by a (14)-linkage. It has a role as a metabolite. It is a carbohydrate acid and a disaccharide. It is functionally related to a cellobiose. It is a conjugate acid of a cellobionate.

이름 및 식별자

우선 이름: Cellobionic acid
IUPAC: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
현지명: 셀로비온산
영어명: cellobionic acid
분자식: C12H22O12
분자량: 358.3

이름 및 동의어

Cellobionic acid534-41-8CHEBI:77021DTXSID702015624-O-beta-D-Glucopyranosyl D-gluconic acidRefChem:124298GlyTouCan:G31453ASDTXCID00124053G31453ASMaltobionate4-O-beta-D-glucopyranosyl-D-gluconic acidCellobionic Acid Ammonium Salt

이름 더 보기

셀로비온산D-Cellobionic acidD-gluconic acid, 4-o-B-D-glucopyranosylD-Gluconic acid, 4-O-β-D-glucopyranosyl-Cellobionic Acid DISCONTINUED. Please see C254850

C12H22O12(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acidSCHEMBL9322922534-41-8 (free base)JYTUSYBCFIZPBE-ZNLUKOTNSA-N4-O-beta-D-glucosyl-D-gluconic acidOC61665(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoic acid

데이터베이스 식별자

CAS: 534-41-8
PubChem CID: 6452827
DTXSID: DTXSID70201562
ChEBI: CHEBI:77021
Nikkaji: J1.846.155B

물성

구조 계산 물성

XLogP: -5
극성 표면적: 218 Å²
수소 결합 공여자 수: 9
수소 결합 수용자 수: 12
회전 가능 결합 수: 8
무거운 원자 수: 24
형식 전하: 0
복잡도: 405

물리화학적 성질

끓는 점: 864.7 · 864.7±65.0 °C(Predicted)
밀도: 1.79 · 1.79±0.1 g/cm3(Predicted)
저장 조건: Hygroscopic, Refrigerator, Under Inert Atmosphere
용해도: DMSO(약간 용해됨),물 (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.28 · 3.28±0.35(Predicted)
색상: 황백색에서 갈색까지

화학 및 산업

응용 분야 · 1건

용도Cellobionic acid is produced by ozonization of Cellobiose. Cellobionic acid was not a good substrate for β-Glucosidase. The lactonized carboxyl group inhibited the enzymic hydrolysis. This inhibitory effect of Cellobionic acid was removed by gluconolactonase.