CID 171364936

Cdp-6-d-fructose

Structural Information

Molecular Formula
C15H25N3O16P2
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O
InChI
InChI=1S/C15H25N3O16P2/c16-9-1-2-18(15(26)17-9)14-13(25)12(24)8(33-14)5-32-36(29,30)34-35(27,28)31-4-7(21)11(23)10(22)6(20)3-19/h1-2,7-8,10-14,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H2,16,17,26)/t7-,8-,10-,11-,12-,13-,14-/m1/s1
InChIKey
OXHCGGFIJZYBHJ-DYEJMGOVSA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.071 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.078276 205.3
[M+Na]+ 588.060218 206.5
[M-H]- 564.063724 203.2
[M+NH4]+ 583.104823 205.2
[M+K]+ 604.034158 203.1
[M+H-H2O]+ 548.068260 190.4
[M+HCOO]- 610.069201 207.7
[M+CH3COO]- 624.084851 241.4
[M+Na-2H]- 586.045666 214.8
[M]+ 565.07045142 203.2
[M]- 565.07154858 203.2
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.