CID 131823020

Cdp-dg(i-24:0/i-22:0)

Structural Information

Molecular Formula
C58H109N3O15P2
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C58H109N3O15P2/c1-48(2)39-35-31-27-23-19-15-11-7-5-6-8-13-17-21-25-29-33-37-41-53(62)71-45-50(74-54(63)42-38-34-30-26-22-18-14-10-9-12-16-20-24-28-32-36-40-49(3)4)46-72-77(67,68)76-78(69,70)73-47-51-55(64)56(65)57(75-51)61-44-43-52(59)60-58(61)66/h43-44,48-51,55-57,64-65H,5-42,45-47H2,1-4H3,(H,67,68)(H,69,70)(H2,59,60,66)/t50-,51-,55+,56?,57-/m1/s1
InChIKey
LKULYHDFWIPURW-VTIUKZERSA-N
Compound name
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(20-methylhenicosanoyloxy)propyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1149.7334 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1150.7407 336.9
[M+Na]+ 1172.7226 336.3
[M+NH4]+ 1167.7672 342.9
[M+K]+ 1188.6966 341.4
[M-H]- 1148.7261 331.1
[M+Na-2H]- 1170.7081 353.0
[M]+ 1149.7329 337.0
[M]- 1149.7339 337.0
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.