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P-Nitrophenyl Α-L-Fucoside
CAS: 10231-84-2 | C12H15NO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10231-84-2
Molecular Formula:
C12H15NO7
Molecular Mass:
285.25 g/mol
Names and Synonyms:
P-Nitrophenyl Α-L-Fucoside
α-L-Galactopyranoside, 4-nitrophenyl 6-deoxy-
Galactopyranoside, p-nitrophenyl 6-deoxy-, α-L-
4-Nitrophenyl 6-deoxy-α-L-galactopyranoside
p-Nitrophenyl α-fucopyranoside
p-Nitrophenyl α-L-fucoside
p-Nitrophenyl α-L-fucopyranoside
p-Nitrophenyl 6-deoxy-α-L-galactopyranoside
Identifiers:
SMILES:
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O
InChI:
InChI=1S/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-/m0/s1
Key Properties
Melting Point
196-197 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.25 g/mol | CAS Common Chemistry |
| 285.252 g/mol | RDKit | |
| 285.08485182000004 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YILIDCGSXCGACV-SQKFTNEHSA-N | CAS Common Chemistry |
| Melting Point | 196-197 °C | CAS Common Chemistry |
| Name | p-Nitrophenyl α-L-fucoside | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 122.29 Ų | RDKit |
| LogP | -0.19890000000000024 | RDKit |
| Molar Refractivity | 66.07980000000003 | RDKit |
