LV2

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Summary

Name:[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:C11 H18 N3 O8 P
Formal charge:0
Molecular weight:351.25 Da
Component type:RNA linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H18N3O8P/c1-13(2)7-3-4-14(11(17)12-7)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6,8-10,15-16H,5H2,1-2H3,(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
InChIKeyInChI1.03PGVGGVCCRBGELR-PEBGCTIMSA-N
SMILES_CANONICALCACTVS3.385CN(C)C1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
SMILESCACTVS3.385CN(C)C1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
SMILESOpenEye OEToolkits2.0.7CN(C)C1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O
167518
PDB entries from 2020-08-12