Chemical Components in the PDB

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0NP : Summary

Code

0NP

One-letter code

X

Molecule name

2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine

Systematic names

ProgramVersionName
ACDLabs 12.01 2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine
OpenEye OEToolkits 1.7.6 azanylidene-[(2S,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-(hydroxymethyl)oxolan-3-yl]imino-azanium

Formula

C9 H11 F N5 O4

Formal charge

1

Molecular weight

272.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1NC(=O)N(C=C1)C2OC(C(\N=[N+]=[N@H])C2F)CO
SMILES CACTVS 3.370 OC[CH]1O[CH]([CH](F)[CH]1N=[N+]=N)N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 1.7.6 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)N=[N+]=N)F
Canonical SMILES CACTVS 3.370 OC[C@H]1O[C@H]([C@H](F)[C@@H]1N=[N+]=N)N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F

IUPAC InChI

InChI=1S/C9H10FN5O4/c10-6-7(13-14-11)4(3-16)19-8(6)15-2-1-5(17)12-9(15)18/h1-2,4,6-8,11,16H,3H2/p+1/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

YRIDFNZYEULFDH-XVFCMESISA-O
0NP

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-03-23

Last modified at

2013-03-22

Status

Released

Obsoleted

Not Assigned