CID 131822804

Cdp-dg(a-25:0/i-21:0)

Structural Information

Molecular Formula
C58H109N3O15P2
SMILES
CCC(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)CCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C58H109N3O15P2/c1-5-49(4)40-36-32-28-24-20-16-12-8-6-7-9-13-17-21-25-29-33-37-41-53(62)71-45-50(74-54(63)42-38-34-30-26-22-18-14-10-11-15-19-23-27-31-35-39-48(2)3)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)/t49?,50-,51-,55+,56?,57-/m1/s1
InChIKey
JDLKSKBRPWVUSO-QAHGQFDISA-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-(19-methylicosanoyloxy)propyl] 22-methyltetracosanoate
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 346.1
[M+Na]+ 1172.7226 348.2
[M-H]- 1148.7261 344.2
[M+NH4]+ 1167.7672 357.7
[M+K]+ 1188.6966 350.9
[M+H-H2O]+ 1132.7307 330.1
[M+HCOO]- 1194.7316 343.9
[M+CH3COO]- 1208.7473 350.0
[M+Na-2H]- 1170.7081 348.7
[M]+ 1149.7329 354.5
[M]- 1149.7339 354.5
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.