CID 90657163

Cdp-d-mannitol

Structural Information

Molecular Formula
C15H27N3O16P2
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@@H](CO)O)O)O)O)O)O
InChI
InChI=1S/C15H27N3O16P2/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/h1-2,6-8,10-14,19-25H,3-5H2,(H,27,28)(H,29,30)(H2,16,17,26)/t6-,7-,8-,10-,11-,12-,13-,14-/m1/s1
InChIKey
WSJYSDVJOUCAAL-RAMZQALMSA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

567.0867 Da
Monoisotopic Mass

-7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.093976 206.6
[M+Na]+ 590.075918 207.8
[M-H]- 566.079424 204.4
[M+NH4]+ 585.120523 206.5
[M+K]+ 606.049858 205.1
[M+H-H2O]+ 550.083960 191.7
[M+HCOO]- 612.084901 209.0
[M+CH3COO]- 626.100551 240.7
[M+Na-2H]- 588.061366 216.3
[M]+ 567.08615142 204.3
[M]- 567.08724858 204.3
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.