U3J

xanthosine diphosphate

Created:2020-04-13
Last modified:  2020-09-02

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count4
Bond Count44
Aromatic Bond Count5
2D diagram of U3J

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Namexanthosine diphosphate
Systematic Name (OpenEye OEToolkits)[(2~{R},3~{R},4~{S},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
FormulaC10 H14 N4 O12 P2
Molecular Weight444.185
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1C(=O)c2ncn(c2NC1=O)C3C(O)C(C(COP(O)(=O)OP(=O)(O)O)O3)O
SMILESCACTVS3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23
SMILESOpenEye OEToolkits2.0.7c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O
Canonical SMILESCACTVS3.385 O[C@@H]1[C@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23
Canonical SMILESOpenEye OEToolkits2.0.7 c1nc2c(n1[C@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O
InChIInChI1.03 InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5+,6+,9-/m1/s1
InChIKeyInChI1.03 YMOPVQQBWLGDOD-GFRUICAKSA-N

Related Resource References

Resource NameReference
PubChem 154573934