CID 131822920

Cdp-dg(i-18:0/a-25:0)

Structural Information

Molecular Formula
C55H103N3O15P2
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C55H103N3O15P2/c1-5-46(4)37-33-29-25-21-17-12-10-8-6-7-9-11-13-19-23-27-31-35-39-51(60)71-47(42-68-50(59)38-34-30-26-22-18-15-14-16-20-24-28-32-36-45(2)3)43-69-74(64,65)73-75(66,67)70-44-48-52(61)53(62)54(72-48)58-41-40-49(56)57-55(58)63/h40-41,45-48,52-54,61-62H,5-39,42-44H2,1-4H3,(H,64,65)(H,66,67)(H2,56,57,63)/t46?,47-,48-,52+,53?,54-/m1/s1
InChIKey
GJPYJEUVFCTSRJ-PKQUYUGRSA-N
Compound name
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(16-methylheptadecanoyloxy)propan-2-yl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1107.6864 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1108.6937 328.6
[M+Na]+ 1130.6756 328.3
[M+NH4]+ 1125.7202 334.7
[M+K]+ 1146.6496 332.8
[M-H]- 1106.6791 323.7
[M+Na-2H]- 1128.6611 343.6
[M]+ 1107.6859 328.9
[M]- 1107.6869 328.9
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.