p-Nitrophenyl alpha-L-fucoside
Basic information
- CAS
10231-84-2- Standard SMILES
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
YILIDCGSXCGACV-SQKFTNEHSA-N- Molecular formula
- C12H15NO7
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.08485182
Overview
4-nitrophenyl alpha-L-fucoside is an alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has a role as a chromogenic compound. It is an alpha-L-fucoside and a C-nitro compound. It is functionally related to a 4-nitrophenol.
Names & identifiers
- Preferred name
- p-Nitrophenyl alpha-L-fucoside
- IUPAC
- (2S,3S,4R,5S,6S)-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol
- English name
- 4-NITROPHENYL-ALPHA-L-FUCOPYRANOSIDE
- Molecular formula
- C12H15NO7
- Molecular weight
- 285.25
Names & synonyms
10231-84-24-Nitrophenylfucosidep-nitrophenyl alpha-l-fucosidepNP-fucosidepara-nitrophenyl-alpha-L-fucosideDTXSID801311214RefChem:858148DTXCID101741036233-553-3(2S,3S,4R,5S,6S)-2-Methyl-6-(4-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol4-NITROPHENYL-ALPHA-L-FUCOPYRANOSIDEp-nitrophenyl alpha-l-fucopyranoside
Show more names
PNP-AfuPNP-ALPHA-L-FUCPNP-ALPHA-L-FUCOSIDEp-Nitrophenyl α-L-fucoside-2-Methyl-6-(4-nitrophenoxy)4-nitrophenyl alpha-L-fucosideP-Nitrophenyl--L-Fucopyranoside4-NITROPHENYL-A-L-FUCOPYRANOSIDE
p-Nitrophenyl 6-deoxy-alpha-L-galactopyranoside(2S,3S,4R,5S,6S)-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol4-Nitrophenyl alpha-L-Fucopyranoside4-nitrophenyl 6-deoxy-alpha-L-galactopyranosideMFCD00063697alpha-L-Galactopyranoside, 4-nitrophenyl 6-deoxy-p-Nitrophenyl |A-L-fucosidep-nitrophenyl-alpha-l-fucoside
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 192 · 192-194°C
- Boiling point
- 515.4 · 515.4±50.0 °C(Predicted)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 4 mg/mL, · acetone: 4 mg/mL, clear
- pka
- 12.68 · 12.68±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- BRN
- 89535 · 89535
- InChI
- InChI=1/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/s3
- InChIKey
- YILIDCGSXCGACV-SQKFTNEHSA-N
- SMILES
- [C@H]1(O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C)OC1=CC=C([N+]([O-])=O)C=C1 |&1:0,2,3,5,7,r|
- CAS DataBase Reference
- 10231 · 10231-84-2(CAS DataBase Reference)
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
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
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesp-Nitrophenyl α-L-Fucopyranoside (cas# 10231-84-2) is a compound useful in organic synthesis.
Additional notes
DefinitionChEBI: An alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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