CID 131823009

Cdp-dg(i-24:0/a-25:0)

Structural Information

Molecular Formula
C61H115N3O15P2
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(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/C61H115N3O15P2/c1-5-52(4)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-57(66)77-53(48-74-56(65)44-40-36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-38-42-51(2)3)49-75-80(70,71)79-81(72,73)76-50-54-58(67)59(68)60(78-54)64-47-46-55(62)63-61(64)69/h46-47,51-54,58-60,67-68H,5-45,48-50H2,1-4H3,(H,70,71)(H,72,73)(H2,62,63,69)/t52?,53-,54-,58+,59?,60-/m1/s1
InChIKey
KAANGVRATVRXGB-HATYJBLGSA-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-(22-methyltricosanoyloxy)propan-2-yl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1191.7804 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1192.7877 345.0
[M+Na]+ 1214.7696 344.2
[M+NH4]+ 1209.8142 350.9
[M+K]+ 1230.7436 349.8
[M-H]- 1190.7731 338.3
[M+Na-2H]- 1212.7551 362.3
[M]+ 1191.7799 344.9
[M]- 1191.7809 344.9
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.