TG

2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one

Created: 2018-10-23
Last modified:  2019-06-05

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count3
Bond Count35
Aromatic Bond Count5
2D diagram of TG
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Chemical Component Summary

Name2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one
Systematic Name (OpenEye OEToolkits)2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one
FormulaC9 H11 N5 O7 P
Molecular Weight332.187
TypeRNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P](O)(=O)=O)[CH]3O
SMILESOpenEye OEToolkits2.0.6c1nc2c(n1C3C(C(CO3)OP(=O)(=O)O)O)N=C(NC2=O)N
Canonical SMILESCACTVS3.385 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3OC[C@H](O[P](O)(=O)=O)[C@H]3O
Canonical SMILESOpenEye OEToolkits2.0.6 c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N
InChIInChI1.03 InChI=1S/C9H11N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H,17,18,19)(H3,10,12,13,16)/t3-,5+,8+/m0/s1
InChIKeyInChI1.03 RGZPMPBDCRFFGY-OTEWCHCRSA-N