니트로페닐갈락토사이드

Nitrophenylgalactosides

HCID 96647CAS 28347-45-7

기본 정보

표준 SMILES: O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey: KUWPCJHYPSUOFW-YBXAARCKSA-N
분자식: C12H15NO8
평균 분자량: 301.25 g/mol
단동위원소 질량: 301.07976644

개요

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.

이름 및 식별자

우선 이름: Nitrophenylgalactosides
IUPAC: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
현지명: 니트로페닐갈락토사이드
영어명: Nitrophenylgalactosides
분자식: C12H15NO8
분자량: 301.2494

이름 및 동의어

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

이름 더 보기

니트로페닐갈락토사이드

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 145 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 362

실험 및 물리화학적 성질

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]

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)