CID 131822726

Cdp-dg(a-13:0/i-14:0)

Structural Information

Molecular Formula
C39H71N3O15P2
SMILES
CCC(C)CCCCCCCCC(=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)CCCCCCCCCCC(C)C
InChI
InChI=1S/C39H71N3O15P2/c1-5-30(4)21-17-13-10-11-14-18-22-34(43)52-26-31(55-35(44)23-19-15-9-7-6-8-12-16-20-29(2)3)27-53-58(48,49)57-59(50,51)54-28-32-36(45)37(46)38(56-32)42-25-24-33(40)41-39(42)47/h24-25,29-32,36-38,45-46H,5-23,26-28H2,1-4H3,(H,48,49)(H,50,51)(H2,40,41,47)/t30?,31-,32-,36+,37?,38-/m1/s1
InChIKey
JCNOCRSGTJVYSS-LGZUTBRDSA-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-(10-methyldodecanoyloxy)propan-2-yl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

883.43604 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 884.44332 285.1
[M+Na]+ 906.42526 289.2
[M+NH4]+ 901.46986 287.9
[M+K]+ 922.39920 284.2
[M-H]- 882.42876 280.9
[M+Na-2H]- 904.41071 292.7
[M]+ 883.43549 285.4
[M]- 883.43659 285.4
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.