p-Nitrophenyl alpha-D-xylopyranoside

HCID 82482CAS 10238-28-5

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIKey: MLJYKRYCCUGBBV-LMLFDSFASA-N
분자식: C11H13NO7
평균 분자량: 271.22 g/mol
단동위원소 질량: 271.06920176

개요

4-nitrophenyl alpha-D-xyloside is a xyloside that is alpha-D-xylopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has a role as a chromogenic compound. It is a xyloside and a C-nitro compound. It is functionally related to a 4-nitrophenol.

이름 및 식별자

우선 이름: p-Nitrophenyl alpha-D-xylopyranoside
IUPAC: (2R,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triol
영어명: p-Nitrophenyl alpha-D-xylopyranoside
분자식: C11H13NO7
분자량: 271.22

이름 및 동의어

10238-28-5p-Nitrophenyl alpha-D-xylopyranoside4-Nitrophenyl alpha-D-xylopyranoside4-nitrophenyl alpha-D-xylosideEINECS 233-572-7p-nitrophenyl alpha-D-xylosideCHEBI:90136RefChem:169362233-572-74-Nitrophenyl a-D-xylopyranosidep-Nitrophenyl |A-D-Xylopyranoside(2R,3R,4S,5R)-2-(4-Nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol

이름 더 보기

XYL1-α-PNPXYL1-A-PNPXYL1-ALPHA-PNPPNP-α-D-xylosidePNP ALPHA-D-XYLOPYRANOSIDE4-Nitrophenyla-D-xylopyranosideP-NITROPHENYL A-D-XYLOPYRANOSIDE

MFCD00067649alpha-D-Xylopyranoside, 4-nitrophenyl(2R,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triolp-Nitrophenyl-alpha-D-xylosideSCHEMBL110452AKOS026674381s11469(2R,3R,4S,5R)-2-(4-Nitrophenoxy)tetrahydropyran-3,4,5-triol

데이터베이스 식별자

CAS: 10238-28-5
PubChem CID: 82482
DTXSID: DTXSID10907450
ChEBI: CHEBI:90136
EC Number: 233-572-7
Nikkaji: J227.133H

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 125 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 313

물리화학적 성질

녹는점: 170 · 170-172°C
끓는 점: 523.2 · 523.2±50.0 °C(Predicted)
밀도: 1.597 · 1.597±0.06 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
용해도: 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.67 · 12.67±0.70(Predicted)
색상: 흰색에서 황백색까지
InChI: 1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2
InChIKey: MLJYKRYCCUGBBV-UHFFFAOYSA-N
SMILES: OC1COC(Oc2ccc(cc2)N(=O)=O)C(O)C1O

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29400090
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도A chromogenic substrate for alpha-xylosidase

공급사43 곳

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

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

추가 설명

정의ChEBI: A xyloside that is alpha-D-xylopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.

연결된 노트

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