CID 131822700

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

Structural Information

Molecular Formula
C38H69N3O15P2
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)CCCCCCCCC(C)CC
InChI
InChI=1S/C38H69N3O15P2/c1-5-28(3)19-15-11-7-9-13-17-21-33(42)51-25-30(54-34(43)22-18-14-10-8-12-16-20-29(4)6-2)26-52-57(47,48)56-58(49,50)53-27-31-35(44)36(45)37(55-31)41-24-23-32(39)40-38(41)46/h23-24,28-31,35-37,44-45H,5-22,25-27H2,1-4H3,(H,47,48)(H,49,50)(H2,39,40,46)/t28?,29?,30-,31-,35+,36?,37-/m1/s1
InChIKey
XNRLZIZTADKRQY-UZCGJLOUSA-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] 10-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

869.4204 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 870.42768 274.3
[M+Na]+ 892.40962 276.7
[M-H]- 868.41312 274.2
[M+NH4]+ 887.45422 274.6
[M+K]+ 908.38356 266.8
[M+H-H2O]+ 852.41766 257.4
[M+HCOO]- 914.41860 275.7
[M+CH3COO]- 928.43425 303.7
[M+Na-2H]- 890.39507 286.6
[M]+ 869.41985 277.3
[M]- 869.42095 277.3
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.