Nitrophenylgalactosides

HCID 96647CAS 28347-45-7

基本情報

標準SMILES: O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey: KUWPCJHYPSUOFW-YBXAARCKSA-N
分子式: C12H15NO8
平均分子量: 301.25 g/mol
単同位体質量: 301.07976644

概要

2-nitrophenyl beta-D-galactoside is a beta-D-galactoside having a 2-nitrophenyl substituent at the anomeric position. It has a role as a chromogenic compound. It is a beta-D-galactoside and a C-nitro compound. It is functionally related to a 2-nitrophenol.

名称と識別子

優先名称: Nitrophenylgalactosides
IUPAC: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
英語名: Nitrophenylgalactosides
分子式: C12H15NO8
分子量: 301.2494

名称と別名

NitrophenylgalactopyranosidesNITROPHENYLGALACTOSIDES28347-45-7beta-D-Galactopyranoside, nitrophenylRefChem:389153369-07-32-Nitrophenyl-beta-D-galactopyranosideONPG2-Nitrophenyl beta-D-galactopyranosideo-Nitrophenyl beta-D-galactopyranoside2-Nitrophenyl beta-D-galactoside(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol

名称をさらに表示

2-Nitrophenyl |A-D-galactopyranosideMFCD00063255(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triolo-Nitrophenyl-beta-D-galactosideb-D-Galactopyranoside, 2-nitrophenyl8RFX6AT9WP.beta.-D-Galactopyranoside, 2-nitrophenyl30677-14-6

データベース識別子

CAS: 28347-45-7、30677-14-6、369-07-3
PubChem CID: 96647
DTXSID: DTXSID10861907
ChEMBL: CHEMBL1229648
ChEBI: CHEBI:90144
UNII: 8RFX6AT9WP
EC Number: 206-716-1、250-286-8
Nikkaji: J39.062C

物性

構造計算による物性

XLogP: -1.2
極性表面積: 145 Å²
水素結合供与体数: 4
水素結合受容体数: 8
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 362

実験および物理化学的性質

Chemical ClassesOther Uses -> Biochemical Research

DrugsPharmaceuticals -> Listed in ZINC15

Solubility>45.2 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionBeige solid; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H315 (20%): 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)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: .beta.-D-Galactopyranoside, 2-nitrophenyl

.beta.-D-Galactopyranoside, 2-nitrophenyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (20%)