Basic information
- CAS
3459-18-5- Standard SMILES
CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
OMRLTNCLYHKQCK-DHGKCCLASA-N- Molecular formula
- C14H18N2O8
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.10631554
Overview
4-nitrophenyl N-acetyl-beta-D-glucosaminide is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has a role as a chromogenic compound. It is a C-nitro compound and a N-acetyl-beta-D-glucosaminide. It is functionally related to a 4-nitrophenol.
Names & identifiers
- Preferred name
- p-nitrophenyl N-acetyl-beta-D-glucosaminide
- IUPAC
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
- English name
- 4-Nitrophenyl-N-acetyl-beta-D-glucosaminide
- Molecular formula
- C14H18N2O8
- Molecular weight
- 342.3
Names & synonyms
3459-18-54-Nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranosidep-nitrophenyl n-acetyl-beta-d-glucosaminideGVY9AA7Y5CpNPGlcNAc4-Nitrophenyl-N-acetyl-2-deoxyglucopyranosideNP-GlcNAcAVR-48AVR484-nitrophenyl N-acetylglucosamineDTXSID3012750494-nitrophenyl-N-acetyl-beta-D-glucopyranoside
Show more names
p-Nitrophenyl 2-Acetamido-2-deoxy-β-D-glucopyranosideGLCNAC1-B-PNPPNP-BETA-D-GLCNAC4-Nitorphenyl--N-acetyl-D-PNP N-ACETYL-BETA-D-GLUCOSAMINIDE4-Nitrophenyl 2-acetamido-2-deoxy-p-Nitrophenyl-N-acetylglucosaminide4-Nitrophenyl 2-acetamido-2-deoxy-βP-Nitrophenyl-2-Acetamido-2-Deoxy-B-D-2-NITROPHENYL-N-ACETYL-β-D-GLUCOSAMINE
p-nitrophenyl-N-acetyl-beta-D-glucopyranosidepara-nitrophenyl-N-acetyl-beta-D-glucopyranosidebeta-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-N-((2S,3R,4R,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-2-(4-NITROPHENOXY)TETRAHYDRO-2H-PYRAN-3-YL) ACETAMIDEpNP-GlcNAcRefChem:8581504-nitrophenyl-N-acetylglucosamineDTXCID301705597
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 210 · 210-212 °C
- Boiling point
- 477.77 °C · 477.77°C (rough estimate)
- alpha
- -14 · -14~-18°(D/20℃) (c=0,H2O)
- Density
- 1.3038 · 1.3038 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 5 mg/mL, clear, colorless to very faintly yellow
- form
- Fine Powder
- pka
- 12.76 · 12.76±0.70(Predicted)
- color
- White to off-white
- Water Solubility
- 5 mg/mL, · water: 5mg/mL, clear, colorless to very faintly yellow
- λmax
- 400 nm · 400nm(Phosphate buffer sol.)(lit.)
- BRN
- 96193 · 96193
- InChI
- InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/s3
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% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
Usessubstrate for a-L-fucosidases
UsesUseful substrate for the rapid colorimetric assay of N-Acetyl-beta-glucosaminidase in human urine.
Uses4-Nitrophenyl-N-acetyl-β- D-glucosaminide is a useful substrate for the rapid colorimetric assay of N-Acetyl-beta-glucosaminidase in human urine
Suppliers100 total
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]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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