CID 131822885

Cdp-dg(i-16:0/i-12:0)

Structural Information

Molecular Formula
C40H73N3O15P2
SMILES
CC(C)CCCCCCCCCCCCC(=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)C
InChI
InChI=1S/C40H73N3O15P2/c1-30(2)21-17-13-9-7-5-6-8-10-15-19-23-35(44)53-27-32(56-36(45)24-20-16-12-11-14-18-22-31(3)4)28-54-59(49,50)58-60(51,52)55-29-33-37(46)38(47)39(57-33)43-26-25-34(41)42-40(43)48/h25-26,30-33,37-39,46-47H,5-24,27-29H2,1-4H3,(H,49,50)(H,51,52)(H2,41,42,48)/t32-,33-,37+,38?,39-/m1/s1
InChIKey
DVCMWGUMVOLFOU-IBIGLQDYSA-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-methylundecanoyloxy)propyl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

897.4517 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 898.45898 288.4
[M+Na]+ 920.44092 292.5
[M+NH4]+ 915.48552 290.9
[M+K]+ 936.41486 287.3
[M-H]- 896.44442 284.3
[M+Na-2H]- 918.42637 295.9
[M]+ 897.45115 288.7
[M]- 897.45225 288.7
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.