CID 135921685

Gdp-(2s,3s,6r)-3-hydroxy-5-imino-6-methyloxane(1-)

Structural Information

Molecular Formula
C16H24N6O13P2
SMILES
C[C@@H]1C(=N)C[C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O
InChI
InChI=1S/C16H24N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h4-5,7-8,10-11,14-15,17,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/t5-,7+,8-,10-,11-,14-,15-/m1/s1
InChIKey
CWINBXDYHKMJMR-FFJBUIDMSA-N
Compound name
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,6R)-3-hydroxy-5-imino-6-methyloxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.08765 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.09493 213.0
[M+Na]+ 593.07687 217.5
[M+NH4]+ 588.12147 214.5
[M+K]+ 609.05081 217.6
[M-H]- 569.08037 208.0
[M+Na-2H]- 591.06232 215.2
[M]+ 570.08710 212.3
[M]- 570.08820 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.