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]+ 566.07828 205.3
[M+Na]+ 588.06022 206.5
[M-H]- 564.06372 203.2
[M+NH4]+ 583.10482 205.2
[M+K]+ 604.03416 203.1
[M+H-H2O]+ 548.06826 190.4
[M+HCOO]- 610.06920 207.7
[M+CH3COO]- 624.08485 241.4
[M+Na-2H]- 586.04567 214.8
[M]+ 565.07045 203.2
[M]- 565.07155 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.