Chemical Components in the PDB

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NPF : Summary

Code

NPF

One-letter code

X

Molecule name

2-nitrophenyl beta-D-fucopyranoside

Synonyms

ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE
2-nitrophenyl 6-deoxy-beta-D-galactopyranoside
2-nitrophenyl beta-D-fucoside
2-nitrophenyl D-fucoside
2-nitrophenyl fucoside

Systematic names

ProgramVersionName
ACDLabs 10.04 2-nitrophenyl 6-deoxy-beta-D-galactopyranoside
OpenEye OEToolkits 1.5.0 (2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol

Formula

C12 H15 N O7

Formal charge

0

Molecular weight

285.25 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2
SMILES CACTVS 3.341 C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CC1C(C(C(C(O1)Oc2ccccc2[N+](=O)[O-])O)O)O
Canonical SMILES CACTVS 3.341 C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O

IUPAC InChI

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

IUPAC InChI key

SWRPIVXPHLYETN-BVWHHUJWSA-N
NPF

wwPDB Information

Atom count

35 (20 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

FCB

Defined at

2000-02-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned