Chemical Components in the PDB

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NF2 : Summary

Code

NF2

One-letter code

N

Molecule name

(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (1S)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-ribitol
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5S)-5-(2,4-difluoro-5-methyl-phenyl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C12 H15 F2 O7 P

Formal charge

0

Molecular weight

340.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O
SMILES CACTVS 3.341 Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c(F)cc1F
SMILES OpenEye OEToolkits 1.5.0 Cc1cc(c(cc1F)F)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.341 Cc1cc([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c(F)cc1F
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C12H15F2O7P/c1-5-2-6(8(14)3-7(5)13)12-11(16)10(15)9(21-12)4-20-22(17,18)19/h2-3,9-12,15-16H,4H2,1H3,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1

IUPAC InChI key

DMROPYMHNVLDPZ-KKOKHZNYSA-N
NF2

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

Not Assigned

Defined at

2006-03-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned