JFZ
4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside
Created: | 2019-02-19 |
Last modified: | 2020-07-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 5 |
Bond Count | 36 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside |
Synonyms | 4-nitrophenyl-alpha-L-fucose; 4-nitrophenyl 6-deoxy-alpha-L-galactoside; 4-nitrophenyl 6-deoxy-L-galactoside; 4-nitrophenyl 6-deoxy-galactoside |
Systematic Name (OpenEye OEToolkits) | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol |
Formula | C12 H15 N O7 |
Molecular Weight | 285.25 |
Type | L-SACCHARIDE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O |
Canonical SMILES | CACTVS | 3.385 | C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | YILIDCGSXCGACV-SQKFTNEHSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 82473 |
ChEBI | CHEBI:90253 |