CID 135921683

Gdp-4-amino-3,4,6-trideoxy-alpha-d-threo-hex-3-enopyranose(2-)

Structural Information

Molecular Formula
C16H24N6O13P2
SMILES
C[C@@H]1C(=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)N
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/h2,4-5,7-8,10-11,14-15,23-25H,3,17H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/t5-,7+,8-,10-,11-,14-,15-/m1/s1
InChIKey
BUODSFMRSSLUIZ-FFJBUIDMSA-N
Compound name
[(2R,3S,6R)-5-amino-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.08765 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.09493 216.6
[M+Na]+ 593.07687 220.0
[M-H]- 569.08037 210.2
[M+NH4]+ 588.12147 216.3
[M+K]+ 609.05081 219.9
[M+H-H2O]+ 553.08491 203.8
[M+HCOO]- 615.08585 218.4
[M+CH3COO]- 629.10150 222.8
[M+Na-2H]- 591.06232 216.3
[M]+ 570.08710 213.9
[M]- 570.08820 213.9
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.