NPF

2-nitrophenyl beta-D-fucopyranoside

Created: 2000-02-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count5
Bond Count36
Aromatic Bond Count6
2D diagram of NPF
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Chemical Component Summary

Name2-nitrophenyl beta-D-fucopyranoside
SynonymsORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE; 2-nitrophenyl 6-deoxy-beta-D-galactopyranoside; 2-nitrophenyl beta-D-fucoside; 2-nitrophenyl D-fucoside; 2-nitrophenyl fucoside
Systematic Name (OpenEye OEToolkits)(2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol
FormulaC12 H15 N O7
Molecular Weight285.25
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2
SMILESCACTVS3.341C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0CC1C(C(C(C(O1)Oc2ccccc2[N+](=O)[O-])O)O)O
Canonical SMILESCACTVS3.341 C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O
InChIInChI1.03 InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
InChIKeyInChI1.03 SWRPIVXPHLYETN-BVWHHUJWSA-N

Drug Info: DrugBank

DrugBank IDDB08297 
NameORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE
Groups experimental
SynonymsORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE

Drug Targets

NameTarget SequencePharmacological ActionActions
Lactose operon repressorMKPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAELNYIPN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 150889
ChEBI CHEBI:44419