Basic information
- CAS
3150-24-1- Standard SMILES
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
IFBHRQDFSNCLOZ-YBXAARCKSA-N- Molecular formula
- C12H15NO8
- Average molar mass
- 301.25 g/mol
- Monoisotopic mass
- 301.07976644
Overview
4-nitrophenyl-beta-D-galactoside is a beta-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position. It has a role as an affinity label. It is a beta-D-galactoside and a monosaccharide derivative.
Names & identifiers
- Preferred name
- p-Nitrophenyl beta-D-galactopyranoside
- IUPAC
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
- English name
- 4-Nitrophenyl-beta-D-galactopyranoside
- Molecular formula
- C12H15NO8
- Molecular weight
- 301.25
Names & synonyms
3150-24-14-Nitrophenylgalactosidep-Nitrophenyl beta-D-galactopyranoside4-nitrophenyl-beta-D-galactoside4-Nitrophenyl galactosidePNPG1-O-(p-nitrophenyl)-beta-D-galactose1-O-(4-nitrophenyl)-beta-D-galactose1-O-(p-nitrophenyl)-beta-D-galactopyranose1-O-(4-nitrophenyl)-beta-D-galactopyranoseCHEBI:3557151-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE
Show more names
NSC 89287Gal-b-PNPPNP-BETA-D-GALPNP BETA-D-GALACTOPYRANOSIDE4-NITROPHENYL-B-D-GALACTOSIDE4-nitrophenyl-β-D-galactosidep-Nitrophenyl β-D-galactoside
p-nitrophenyl-alpha-galactosideDTXSID40185401RefChem:526014DTXCID101078924-Nitrophenyl-beta-D-galactopyranoside4-Nitrophenyl beta-D-Galactopyranosidep-Nitrophenyl-beta-D-galactosidep-Nitrophenol galactoside
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP-0.63
Physicochemical properties
- Melting point
- 178 · 178-182 °C
- Boiling point
- 442.39 °C · 442.39°C (rough estimate)
- alpha
- 20 · [α]D20 -79～-85° (c=2, H2O)(calculated on the dried basis)
- Density
- 1.3709 · 1.3709 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- 11 mg/ml; · DMF: 11 mg/ml; DMSO: 10 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 0.09 mg/ml
- pka
- 12.55 · 12.55±0.70(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information.beta.-D-Galactopyranoside, 4-nitrophenyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29389090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Biologically active molecules which are covalently bound to the enzymes or binding proteins normally acting on them. Binding occurs due to activation of the label by ultraviolet light. These labels are used primarily to identify binding sites on proteins.
Applications
Usesp-Nitrophenyl-β-D-galactopyranoside (cas# 3150-24-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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