CID 131822794

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

Structural Information

Molecular Formula
C62H117N3O15P2
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)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C62H117N3O15P2/c1-5-52(3)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-57(66)75-49-54(78-58(67)46-42-38-34-30-26-22-18-14-10-8-12-16-20-24-28-32-36-40-44-53(4)6-2)50-76-81(71,72)80-82(73,74)77-51-55-59(68)60(69)61(79-55)65-48-47-56(63)64-62(65)70/h47-48,52-55,59-61,68-69H,5-46,49-51H2,1-4H3,(H,71,72)(H,73,74)(H2,63,64,70)/t52?,53?,54-,55-,59+,60?,61-/m1/s1
InChIKey
NFBLYOSCHNBMLH-SEUOHMJOSA-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-(22-methyltetracosanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1205.796 Da
Monoisotopic Mass

18.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1206.8033 357.1
[M+Na]+ 1228.7852 358.6
[M-H]- 1204.7887 353.8
[M+NH4]+ 1223.8298 368.7
[M+K]+ 1244.7592 362.9
[M+H-H2O]+ 1188.7933 340.9
[M+HCOO]- 1250.7942 353.4
[M+CH3COO]- 1264.8099 358.4
[M+Na-2H]- 1226.7707 360.6
[M]+ 1205.7955 366.9
[M]- 1205.7965 366.9
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.