CID 90658396

Cdp-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]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O
InChI
InChI=1S/C15H25N3O16P2/c16-8-1-2-18(14(24)17-8)13-11(22)9(20)6(32-13)3-30-35(26,27)34-36(28,29)31-4-7-10(21)12(23)15(25,5-19)33-7/h1-2,6-7,9-13,19-23,25H,3-5H2,(H,26,27)(H,28,29)(H2,16,17,24)/t6-,7-,9-,10-,11-,12+,13-,15-/m1/s1
InChIKey
NYIULHRSJADUMD-HWEKWTFHSA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

565.071 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.078276 205.5
[M+Na]+ 588.060218 208.2
[M-H]- 564.063724 202.3
[M+NH4]+ 583.104823 205.6
[M+K]+ 604.034158 209.3
[M+H-H2O]+ 548.068260 194.2
[M+HCOO]- 610.069201 208.1
[M+CH3COO]- 624.084851 240.8
[M+Na-2H]- 586.045666 210.7
[M]+ 565.07045142 196.2
[M]- 565.07154858 196.2
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.