TT9

[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate


Toggle HydrogenToggle Labels

Chemical Component Summary

Name[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate
Identifiers[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate
FormulaC9 H15 N3 O11 P2 S
Molecular Weight435.241
TypeNON-POLYMER
Isomeric SMILESC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@@](S2)(CO)OP(=O)(O)OP(=O)(O)O)O)O
InChIInChI=1S/C9H15N3O11P2S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(3-13,26-7)22-25(20,21)23-24(17,18)19/h1-2,5-7,13-15H,3H2,(H,20,21)(H2,10,11,16)(H2,17,18,19)/t5-,6+,7-,9+/m1/s1
InChIKeyKEAXZHZTGMHPPH-AYHNYZOXSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count4
Bond Count42
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 171362202