CID 131822835

Cdp-dg(i-13:0/i-16:0)

Structural Information

Molecular Formula
C41H75N3O15P2
SMILES
CC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(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/C41H75N3O15P2/c1-31(2)22-18-14-10-7-5-6-8-12-17-21-25-37(46)57-33(28-54-36(45)24-20-16-13-9-11-15-19-23-32(3)4)29-55-60(50,51)59-61(52,53)56-30-34-38(47)39(48)40(58-34)44-27-26-35(42)43-41(44)49/h26-27,31-34,38-40,47-48H,5-25,28-30H2,1-4H3,(H,50,51)(H,52,53)(H2,42,43,49)/t33-,34-,38+,39?,40-/m1/s1
InChIKey
CXAVQAYEJMFGGI-BGBHGZNASA-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-(11-methyldodecanoyloxy)propan-2-yl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

911.46735 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 912.47463 291.6
[M+Na]+ 934.45657 295.7
[M+NH4]+ 929.50117 294.0
[M+K]+ 950.43051 290.4
[M-H]- 910.46007 287.6
[M+Na-2H]- 932.44202 299.1
[M]+ 911.46680 292.0
[M]- 911.46790 292.0
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.