CID 131822980

Cdp-dg(i-21:0/i-18:0)

Structural Information

Molecular Formula
C51H95N3O15P2
SMILES
CC(C)CCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C51H95N3O15P2/c1-41(2)32-28-24-20-16-12-8-6-5-7-9-14-18-22-26-30-34-46(55)64-38-43(67-47(56)35-31-27-23-19-15-11-10-13-17-21-25-29-33-42(3)4)39-65-70(60,61)69-71(62,63)66-40-44-48(57)49(58)50(68-44)54-37-36-45(52)53-51(54)59/h36-37,41-44,48-50,57-58H,5-35,38-40H2,1-4H3,(H,60,61)(H,62,63)(H2,52,53,59)/t43-,44-,48+,49?,50-/m1/s1
InChIKey
QLWYBEFZYITBCV-ZFHPAKPRSA-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-(16-methylheptadecanoyloxy)propyl] 19-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1051.6239 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1052.6312 317.2
[M+Na]+ 1074.6131 317.3
[M+NH4]+ 1069.6577 323.5
[M+K]+ 1090.5871 321.3
[M-H]- 1050.6166 313.6
[M+Na-2H]- 1072.5986 331.0
[M]+ 1051.6234 317.8
[M]- 1051.6244 317.8
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.