CID 131822770

Cdp-dg(a-17:0/i-24:0)

Structural Information

Molecular Formula
C53H99N3O15P2
SMILES
CCC(C)CCCCCCCCCCCCC(=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)C
InChI
InChI=1S/C53H99N3O15P2/c1-5-44(4)35-31-27-23-19-16-17-20-24-28-32-36-48(57)66-40-45(69-49(58)37-33-29-25-21-15-13-11-9-7-6-8-10-12-14-18-22-26-30-34-43(2)3)41-67-72(62,63)71-73(64,65)68-42-46-50(59)51(60)52(70-46)56-39-38-47(54)55-53(56)61/h38-39,43-46,50-52,59-60H,5-37,40-42H2,1-4H3,(H,62,63)(H,64,65)(H2,54,55,61)/t44?,45-,46-,50+,51?,52-/m1/s1
InChIKey
IGHJVEJMOFFSNY-AUASPPDOSA-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-(14-methylhexadecanoyloxy)propan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1079.6552 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1080.6625 322.9
[M+Na]+ 1102.6444 322.8
[M+NH4]+ 1097.6890 329.1
[M+K]+ 1118.6184 327.0
[M-H]- 1078.6479 318.7
[M+Na-2H]- 1100.6299 337.3
[M]+ 1079.6547 323.3
[M]- 1079.6557 323.3
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.