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]+ 568.09398 206.6
[M+Na]+ 590.07592 207.8
[M-H]- 566.07942 204.4
[M+NH4]+ 585.12052 206.5
[M+K]+ 606.04986 205.1
[M+H-H2O]+ 550.08396 191.7
[M+HCOO]- 612.08490 209.0
[M+CH3COO]- 626.10055 240.7
[M+Na-2H]- 588.06137 216.3
[M]+ 567.08615 204.3
[M]- 567.08725 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.