CID 135926535

Gdp-beta-l-colitose(2-)

Structural Information

Molecular Formula
C16H25N5O14P2
SMILES
C[C@H]1[C@H](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)O
InChI
InChI=1S/C16H25N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-8,10-11,14-15,22-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,6-,7-,8+,10+,11+,14+,15+/m0/s1
InChIKey
GRUFZTGABLSDFG-CQDAXFISSA-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,5S,6S)-3,5-dihydroxy-6-methyloxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

573.08734 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.09462 213.3
[M+Na]+ 596.07656 217.6
[M+NH4]+ 591.12116 214.4
[M+K]+ 612.05050 218.4
[M-H]- 572.08006 208.0
[M+Na-2H]- 594.06201 215.2
[M]+ 573.08679 212.3
[M]- 573.08789 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

patents stripe