4-ニトロフェニルα-D-キシロピラノシド

p-Nitrophenyl alpha-D-xylopyranoside

HCID 82482CAS 10238-28-5

基本情報

標準SMILES: O=[N+]([O-])c1ccc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIKey: MLJYKRYCCUGBBV-LMLFDSFASA-N
分子式: C11H13NO7
平均分子量: 271.22 g/mol
単同位体質量: 271.06920176

概要

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.

名称と識別子

優先名称: p-Nitrophenyl alpha-D-xylopyranoside
IUPAC: (2R,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triol
現地名: 4-ニトロフェニルα-D-キシロピラノシド
英語名: p-Nitrophenyl alpha-D-xylopyranoside
分子式: C11H13NO7
分子量: 271.22

名称と別名

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

名称をさらに表示

4-ニトロフェニルα-D-キシロピラノシド4-ニトロフェニルα-D-xylo-ペントピラノシドPNP-α-D-キシロシドP-ニトロフェニルΑ-D-キシロピラノシド4-ニトロフェニル Α-D-キシロピラノシド(2R,3R,4S,5R)-2-(4-ニトロフェノキシ)オキサン-3,4,5-トリオール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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.3
極性表面積: 125 Å²
水素結合供与体数: 3
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 313

物理化学的性質

融点: 170 · 170-172°C
沸点: 523.2 · 523.2±50.0 °C(Predicted)
比重(密度): 1.597 · 1.597±0.06 g/cm3(Predicted)
貯蔵温度: 20 °C · −20°C
溶解性: メタノール（微量）、水（微量）
外見: 個体
酸解離定数(Pka): 12.67 · 12.67±0.70(Predicted)
色: ホワイトからオフホワイト
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

化学的性質

化学的特性White Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29400090
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用A chromogenic substrate for alpha-xylosidase

サプライヤー43 社

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]

補足説明

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