Chemical Components in the PDB

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F2T : Summary

Code

F2T

One-letter code

U

Molecule name

2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine

Systematic names

ProgramVersionName
ACDLabs 12.01 2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine
OpenEye OEToolkits 2.0.4 [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

Formula

C9 H12 F N2 O7 P S

Formal charge

0

Molecular weight

342.238 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 P(S)(=O)(OCC1OC(C(C1O)F)N2C(=O)NC(=O)C=C2)O
SMILES CACTVS 3.385 O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 2.0.4 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S)O)F
Canonical SMILES CACTVS 3.385 O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F

IUPAC InChI

InChI=1S/C9H12FN2O7PS/c10-6-7(14)4(3-18-20(16,17)21)19-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

GAVMOIRMDKJPDM-XVFCMESISA-N
F2T

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

U

Defined at

2016-05-13

Last modified at

2016-07-15

Status

Released

Obsoleted

Not Assigned