A1IT4

1-(beta-D-Ribofuranosyl)cyanuric acid-5'-monophosphate

Created:2024-11-13
Last modified:  2025-10-22

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count4
Bond Count35
Aromatic Bond Count0
2D diagram of A1IT4
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Chemical Component Summary

Name1-(beta-D-Ribofuranosyl)cyanuric acid-5'-monophosphate
Synonyms[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate; ((2R,3S,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3,5-triazinan-1-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
FormulaC8 H12 N3 O10 P
Molecular Weight341.169
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)NC2=O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(O1)N2C(=O)NC(=O)NC2=O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.385 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)NC2=O
Canonical SMILESOpenEye OEToolkits2.0.7 C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)OP(=O)(O)O
InChIInChI1.06 InChI=1S/C8H12N3O10P/c12-3-2(1-20-22(17,18)19)21-5(4(3)13)11-7(15)9-6(14)10-8(11)16/h2-5,12-13H,1H2,(H2,17,18,19)(H2,9,10,14,15,16)/t2-,3-,4-,5-/m1/s1
InChIKeyInChI1.06 AEXLPCNSEAEGAT-TXICZTDVSA-N