CID 131822746

Cdp-dg(a-15:0/i-16:0)

Structural Information

Molecular Formula
C43H79N3O15P2
SMILES
CCC(C)CCCCCCCCCCC(=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)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C43H79N3O15P2/c1-5-34(4)25-21-17-13-10-11-14-18-22-26-38(47)56-30-35(59-39(48)27-23-19-15-9-7-6-8-12-16-20-24-33(2)3)31-57-62(52,53)61-63(54,55)58-32-36-40(49)41(50)42(60-36)46-29-28-37(44)45-43(46)51/h28-29,33-36,40-42,49-50H,5-27,30-32H2,1-4H3,(H,52,53)(H,54,55)(H2,44,45,51)/t34?,35-,36-,40+,41?,42-/m1/s1
InChIKey
MVVBGKCNSZSWLM-KMUBYDIESA-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-(12-methyltetradecanoyloxy)propan-2-yl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

939.49866 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 940.50594 298.2
[M+Na]+ 962.48788 302.3
[M+NH4]+ 957.53248 300.0
[M+K]+ 978.46182 296.6
[M-H]- 938.49138 292.5
[M+Na-2H]- 960.47333 305.6
[M]+ 939.49811 298.6
[M]- 939.49921 298.6
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.