Nitrophenylgalactosides

HCID 96647

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Basic information

CAS: 28347-45-7
Standard SMILES: O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey: KUWPCJHYPSUOFW-YBXAARCKSA-N
Molecular formula: C12H15NO8
Average molar mass: 301.25 g/mol
Monoisotopic mass: 301.07976644

Overview

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.

Names & identifiers

Preferred name: Nitrophenylgalactosides
IUPAC: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
English name: Nitrophenylgalactosides
Molecular formula: C12H15NO8
Molecular weight: 301.2494

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 145 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 362

Experimental & physicochemical properties

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]

Physicochemical properties

FDA UNII: 8 RFX6AT9WP · 8RFX6AT9WP

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Chemistry & industry

Additional notes · 1 item

DefinitionChEBI: 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.