CID 131791805

Cl(a-13:0/a-13:0/a-25:0/i-22:0)[rac]

Structural Information

Molecular Formula
C82H160O17P2
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC)O)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C82H160O17P2/c1-9-73(6)59-51-43-35-31-27-23-19-14-12-13-15-20-24-28-32-36-46-54-62-79(84)92-68-77(98-81(86)64-56-48-37-33-29-25-21-17-16-18-22-26-30-34-42-50-58-72(4)5)70-96-100(88,89)94-66-76(83)67-95-101(90,91)97-71-78(99-82(87)65-57-49-41-39-45-53-61-75(8)11-3)69-93-80(85)63-55-47-40-38-44-52-60-74(7)10-2/h72-78,83H,9-71H2,1-8H3,(H,88,89)(H,90,91)/t73?,74?,75?,76-,77-,78-/m1/s1
InChIKey
AOTYDPLCDLZMGC-VCAZGFQSSA-N
Compound name
[(2R)-3-[[(2R)-3-[[(2R)-2,3-bis(10-methyldodecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(20-methylhenicosanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1479.113 Da
Monoisotopic Mass

29.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1480.1203 422.1
[M+Na]+ 1502.1022 416.6
[M+NH4]+ 1497.1468 436.1
[M+K]+ 1518.0762 428.2
[M-H]- 1478.1057 412.4
[M+Na-2H]- 1500.0877 411.7
[M]+ 1479.1125 422.4
[M]- 1479.1135 422.4
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.