CID 131791813

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

Structural Information

Molecular Formula
C85H166O17P2
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)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C85H166O17P2/c1-9-75(5)61-53-45-37-33-29-25-21-17-13-15-19-23-27-31-35-39-49-57-65-82(87)95-71-80(101-84(89)67-59-51-40-36-32-28-24-20-16-14-18-22-26-30-34-38-46-54-62-76(6)10-2)73-99-103(91,92)97-69-79(86)70-98-104(93,94)100-74-81(102-85(90)68-60-52-44-42-48-56-64-78(8)12-4)72-96-83(88)66-58-50-43-41-47-55-63-77(7)11-3/h75-81,86H,9-74H2,1-8H3,(H,91,92)(H,93,94)/t75?,76?,77?,78?,79-,80-,81-/m1/s1
InChIKey
JKNQSQDIDYZDHV-YANZPWJESA-N
Compound name
[(2R)-3-[[(2R)-3-[[(2R)-2,3-bis(10-methyldodecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(22-methyltetracosanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1521.16 Da
Monoisotopic Mass

31.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1522.1673 429.1
[M+Na]+ 1544.1492 423.3
[M+NH4]+ 1539.1938 442.9
[M+K]+ 1560.1232 435.4
[M-H]- 1520.1527 418.6
[M+Na-2H]- 1542.1347 417.9
[M]+ 1521.1595 429.3
[M]- 1521.1605 429.3
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.