p-nitrophenyl alpha-D-glucopyranoside

HCID 92969
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
3767-28-0
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-ZIQFBCGOSA-N
Molecular formula
C12H15NO8
Average molar mass
301.25 g/mol
Monoisotopic mass
301.07976644

Names & identifiers

Preferred name
p-nitrophenyl alpha-D-glucopyranoside
IUPAC
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
English name
4-Nitrophenyl-alpha-D-glucopyranoside
Molecular formula
C12H15NO8
Molecular weight
301.25

Names & synonyms

3767-28-04-nitrophenyl-alpha-D-glucopyranoside4-Nitrophenyl alpha-glucosidep-Nitrophenyl alpha-D-glucopyranosidep-Nitrophenyl-alpha-D-glucopyranosidep-nitrophenyl-glucopyranosideDTXSID701031992PNP-alpha-GluRefChem:100097para-nitrophenyl alpha-glucosideDTXCID801516993223-189-3
Show more names
4-nitrophenyl α-D-glucopyranosideα-D-Glucopyranoside, 4-nitrophenylGlc-a-PNPalfa-PNPGPNP -α-D-GLUPNP-ALPHA-D-GLCPNP-α-D-glucopyranosidep-Nitrophenyl α-glucosidePNP ALPHA-D-GLUCOPYRANOSIDE
4-Nitrophenyl a-D-glucopyranoside4-Nitrophenyl alpha-D-glucopyranosidea-D-Glucopyranoside, 4-nitrophenylMFCD00064088(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol4-nitrophenyl alpha-d-glucosidePNGp-nitrophenyl a-d-glucopyranoside

Database identifiers

CAS
3767-28-0
PubChem CID
92969
DTXSID
DTXSID701031992
ChEMBL
CHEMBL1235365
ChEBI
CHEBI:91122
EC Number
223-189-3
Nikkaji
J208.797I

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

Physicochemical properties

Melting point
210 · 210-216 °C
Boiling point
442.39 °C · 442.39°C (rough estimate)
Density
1.3709 · 1.3709 (rough estimate)
refractive index
218.5 ° · 218.5 ° (C=0.5, H2O)
storage temp.
-20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
solubility
10 mg/ml,DMSO: · DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: Slightly soluble,PBS (pH 7.2): 0.3 mg/ml

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information.alpha.-D-Glucopyranoside, 4-nitrophenyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory Information.alpha.-D-Glucopyranoside, 4-nitrophenyl: Does not have an individual approval but may be used under an appropriate group standard

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

Chemistry & industry

Applications

UsesSubstrate for a-glucosidase inhibitor

Usesp-Nitrophenyl α-D-Glucopyranoside is a substrate for α-glucosidase inhibitor.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

Additional notes

DefinitionChEBI: An alpha-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.

Related reactions

2 records
New reaction record

Compound notes

Loading…