CID 135926579

Gdp-4-dehydro-3,6-dideoxy-alpha-d-mannose(2-)

Structural Information

Molecular Formula
C16H23N5O14P2
SMILES
C[C@@H]1C(=O)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/C16H23N5O14P2/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/h4-5,7-8,10-11,14-15,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,7+,8-,10-,11-,14-,15-/m1/s1
InChIKey
ACAXSHCRYZSKNE-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-6-methyl-5-oxooxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

571.07166 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.07894 212.6
[M+Na]+ 594.06088 216.9
[M+NH4]+ 589.10548 213.7
[M+K]+ 610.03482 217.7
[M-H]- 570.06438 207.3
[M+Na-2H]- 592.04633 214.8
[M]+ 571.07111 211.5
[M]- 571.07221 211.5
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.