A1ANT

[(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Created: 2024-04-17
Last modified:  2024-07-10

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count3
Bond Count44
Aromatic Bond Count0
2D diagram of A1ANT
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Chemical Component Summary

Name[(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
Systematic Name (OpenEye OEToolkits)[(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
FormulaC9 H15 N2 O14 P3
Molecular Weight468.142
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC1=CN([CH]2OC[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]2O)C(=O)NC1=O
SMILESOpenEye OEToolkits2.0.7CC1=CN(C(=O)NC1=O)C2C(C(CO2)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Canonical SMILESCACTVS3.385 CC1=CN([C@@H]2OC[C@@H](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@H]2O)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChIInChI1.06 InChI=1S/C9H15N2O14P3/c1-4-2-11(9(14)10-7(4)13)8-6(12)5(3-22-8)23-27(18,19)25-28(20,21)24-26(15,16)17/h2,5-6,8,12H,3H2,1H3,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6-,8-/m1/s1
InChIKeyInChI1.06 JSABWHHNWKQTOZ-ATRFCDNQSA-N

Related Resource References

Resource NameReference
PubChem 168437163