p-nitrophenyl alpha-D-galactopyranoside
Basic information
- CAS
7493-95-0- 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-IIRVCBMXSA-N- Molecular formula
- C12H15NO8
- Average molar mass
- 301.25 g/mol
- Monoisotopic mass
- 301.07976644
Overview
4-nitrophenyl alpha-D-galactoside is an alpha-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position. It is an alpha-D-galactoside and a monosaccharide derivative.
Names & identifiers
- Preferred name
- p-nitrophenyl alpha-D-galactopyranoside
- IUPAC
- (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
- English name
- 4-Nitrophenyl-alpha-D-galactopyranoside
- Molecular formula
- C12H15NO8
- Molecular weight
- 301.25
Names & synonyms
7493-95-0p-Nitrophenyl alpha-D-galactopyranosideEINECS 231-343-6NSC 89286alpha-D-Galactopyranoside, 4-nitrophenylDTXSID001294432RefChem:858147DTXCID701724979231-343-64-Nitrophenyl a-D-galactopyranoside4-nitrophenyl-alpha-D-galactopyranoside4-Nitrophenyl alpha-D-Galactopyranoside
Show more names
PNPGosidepyranGal-a-PNPGAL1-A-PNPGal1-α-PNPPNP-ALPHA-GALPNP-ALPHA-D-GALα-Methyl-β-alanine
4-nitrophenyl-alpha-D-galactosidep-nitrophenyl-alpha-D-galactoside4-nitrophenyl |A-d-galactopyranosideMFCD00065050p-NITROPHENYL-alpha-D-GALACTOPYRANOSIDE(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol1-O-(4-nitrophenyl)-alpha-D-galactose1-O-(p-nitrophenyl)-alpha-D-galactose
Database identifiers
- CAS
7493-95-0
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
Physicochemical properties
- Melting point
- 166 · 166-169 °C
- Boiling point
- 582.2 · 582.2±50.0 °C(Predicted)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- refractive index
- 239 ° · 239 ° (C=1, H2O)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- pka
- 12.55 · 12.55±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- BRN
- 92214 · 92214
- InChI
- InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/s3
- InChIKey
- IFBHRQDFSNCLOZ-IIRVCBMXSA-N
- SMILES
- O(C1C=CC(N(=O)=O)=CC=1)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |&1:10,12,15,17,19,r|
- LogP
- -0.55 · -0.550 (est)
- CAS DataBase Reference
- 7493 · 7493-95-0(CAS DataBase Reference)
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 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesp-Nitrophenyl α-D-Galactopyranoside (cas# 7493-95-0) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: An alpha-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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