CAS 487-60-5 2-(Hydroxymethyl)-6-(1H-Indol-3-Yloxy)Oxane-3,4,5-Triol (HCID 258533)

기본 정보

CAS: 487-60-5
표준 SMILES: OCC1OC(Oc2c[nH]c3ccccc23)C(O)C(O)C1O
InChIKey: XVARCVCWNFACQC-UHFFFAOYSA-N
분자식: C14H17NO6
평균 분자량: 295.29 g/mol
단동위원소 질량: 295.10558726

개요

Beta-indol-3-yl-glucoside is this compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. It is a glycoside and a member of indoles.

이름 및 식별자

우선 이름: 2-(Hydroxymethyl)-6-(1H-Indol-3-Yloxy)Oxane-3,4,5-Triol
IUPAC: 2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
영어명: 3-Indoxyl-beta-D-glucopyranoside
분자식: C14H17NO6
분자량: 295.29

이름 및 동의어

2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triolRefChem:1061866Uroxanthin1h-indol-3-yl hexopyranosideIndoxyl-beta-D-galactopyranosideIndikanIndol-3-yl-beta-D-galactopyranosideIndican (glucoside)SMR000857133Indican (plant indican)Indoxyl-.beta.-D-glucosideIndoxyl beta-D-galactopyranoside

이름 더 보기

Indoxyl sulfateINDICAN3-Indoxyl-β-D-glucopyranosideC08481V10029V 10029V-10029PLANT INDICANindican,plant

Indol-3-yl-glucoside, beta-D-MFCD00047169(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol.beta.-D-Glucopyranoside, 1H-indol-3-ylIndoxyl b-D-glucosideIndoxyl-.beta.-D-glucosebeta-indol-3-yl-glucosideIndol-3-yl-b-D-galactoside

데이터베이스 식별자

CAS: 487-60-5
PubChem CID: 258533

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 115 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 356

실험 및 물리화학적 성질

Solubility>44.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 57 · 57-58 °C
끓는 점: 606.7 · 606.7±55.0 °C(Predicted)
밀도: 1.562 · 1.562±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 2 O: · H2O: 0.1 M at 20 °C, 투명 ~ 약간 흐릿함, 무색 ~ 희미한 황록색
산도 계수 (pKa): 12.92 · 12.92±0.70(Predicted)
물리적 상태: 고체
색상: 흰색에서 옅은 회색까지
수용성: 2 O: · H2O: 0.1M, clear to slightly hazy
Merck: 14 · 14,4942
안정성: 흡습성
InChI: InChI=1/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/s3
InChIKey: XVARCVCWNFACQC-JOAVLQHANA-N
SMILES: O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C1=CNC2C=CC=CC1=2 |&1:1,2,3,5,7,r|

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29389090
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도colorimetric substrate for laminarinase

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

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