FJF

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Summary

Name:5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
Formula:C9 H12 N2 O6
Formal charge:0
Molecular weight:244.201 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
InChIKeyInChI1.03PTJWIQPHWPFNBW-GBNDHIKLSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C2=CNC(=O)NC2=O
SMILESCACTVS3.385OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
SMILESOpenEye OEToolkits2.0.7C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CO)O)O
171916
PDB entries from 2020-12-02