CID 131822882

Cdp-dg(i-16:0/a-17:0)

Structural Information

Molecular Formula
C45H83N3O15P2
SMILES
CCC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC(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/C45H83N3O15P2/c1-5-36(4)27-23-19-15-11-7-9-13-17-21-25-29-41(50)61-37(32-58-40(49)28-24-20-16-12-8-6-10-14-18-22-26-35(2)3)33-59-64(54,55)63-65(56,57)60-34-38-42(51)43(52)44(62-38)48-31-30-39(46)47-45(48)53/h30-31,35-38,42-44,51-52H,5-29,32-34H2,1-4H3,(H,54,55)(H,56,57)(H2,46,47,53)/t36?,37-,38-,42+,43?,44-/m1/s1
InChIKey
PHVMGXFONLOJIX-CYKRCTKZSA-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-(14-methylpentadecanoyloxy)propan-2-yl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

967.52997 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 968.53725 304.7
[M+Na]+ 990.51919 308.8
[M+NH4]+ 985.56379 306.0
[M+K]+ 1006.4931 302.8
[M-H]- 966.52269 297.9
[M+Na-2H]- 988.50464 311.9
[M]+ 967.52942 305.3
[M]- 967.53052 305.3
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.