CID 131822802

Cdp-dg(a-25:0/i-19:0)

Structural Information

Molecular Formula
C56H105N3O15P2
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)CCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C56H105N3O15P2/c1-5-47(4)38-34-30-26-22-18-14-10-8-6-7-9-11-15-19-23-27-31-35-39-51(60)69-43-48(72-52(61)40-36-32-28-24-20-16-12-13-17-21-25-29-33-37-46(2)3)44-70-75(65,66)74-76(67,68)71-45-49-53(62)54(63)55(73-49)59-42-41-50(57)58-56(59)64/h41-42,46-49,53-55,62-63H,5-40,43-45H2,1-4H3,(H,65,66)(H,67,68)(H2,57,58,64)/t47?,48-,49-,53+,54?,55-/m1/s1
InChIKey
KWEQRFXWELFZJE-VSHPWEHDSA-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-(17-methyloctadecanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1121.7021 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1122.7094 340.4
[M+Na]+ 1144.6913 342.9
[M-H]- 1120.6948 339.3
[M+NH4]+ 1139.7359 352.0
[M+K]+ 1160.6653 344.8
[M+H-H2O]+ 1104.6994 324.6
[M+HCOO]- 1166.7003 339.0
[M+CH3COO]- 1180.7160 345.6
[M+Na-2H]- 1142.6768 342.7
[M]+ 1121.7016 348.2
[M]- 1121.7026 348.2
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.