CID 131822814

Cdp-dg(i-12:0/i-13:0)

Structural Information

Molecular Formula
C37H67N3O15P2
SMILES
CC(C)CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(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/C37H67N3O15P2/c1-27(2)18-14-10-6-5-7-13-17-21-33(42)53-29(24-50-32(41)20-16-12-9-8-11-15-19-28(3)4)25-51-56(46,47)55-57(48,49)52-26-30-34(43)35(44)36(54-30)40-23-22-31(38)39-37(40)45/h22-23,27-30,34-36,43-44H,5-21,24-26H2,1-4H3,(H,46,47)(H,48,49)(H2,38,39,45)/t29-,30-,34+,35?,36-/m1/s1
InChIKey
PWTXBKCJMYHPJS-AACFOHPMSA-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-methylundecanoyloxy)propan-2-yl] 11-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

855.4047 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 856.41198 278.5
[M+Na]+ 878.39392 282.6
[M+NH4]+ 873.43852 281.7
[M+K]+ 894.36786 277.9
[M-H]- 854.39742 274.3
[M+Na-2H]- 876.37937 286.3
[M]+ 855.40415 278.7
[M]- 855.40525 278.7
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.