CID 447791

[(2r)-2-pentadecanoyloxy-3-tridecanoyloxypropyl] hydrogen phosphate

Structural Information

Molecular Formula
C31H61O8P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKey
UOOPRMYYAWVCCZ-GDLZYMKVSA-N
Compound name
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.4104 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.41768 249.2
[M+Na]+ 615.39962 250.2
[M+NH4]+ 610.44422 253.4
[M+K]+ 631.37356 249.5
[M-H]- 591.40312 239.2
[M+Na-2H]- 613.38507 250.2
[M]+ 592.40985 247.0
[M]- 592.41095 247.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.