CID 131822898

Cdp-dg(i-17:0/a-13:0)

Structural Information

Molecular Formula
C42H77N3O15P2
SMILES
CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C42H77N3O15P2/c1-5-33(4)24-20-16-13-14-18-22-26-38(47)58-34(29-55-37(46)25-21-17-12-10-8-6-7-9-11-15-19-23-32(2)3)30-56-61(51,52)60-62(53,54)57-31-35-39(48)40(49)41(59-35)45-28-27-36(43)44-42(45)50/h27-28,32-35,39-41,48-49H,5-26,29-31H2,1-4H3,(H,51,52)(H,53,54)(H2,43,44,50)/t33?,34-,35-,39+,40?,41-/m1/s1
InChIKey
SMEUUJCAKYWSIC-SRCBNSNESA-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-(10-methyldodecanoyloxy)propyl] 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

925.483 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 926.49028 294.9
[M+Na]+ 948.47222 299.0
[M+NH4]+ 943.51682 297.0
[M+K]+ 964.44616 293.5
[M-H]- 924.47572 290.9
[M+Na-2H]- 946.45767 302.4
[M]+ 925.48245 295.3
[M]- 925.48355 295.3
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.