CID 131791809

Cl(a-13:0/a-13:0/a-25:0/i-24:0)[rac]

Structural Information

Molecular Formula
C84H164O17P2
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)C
InChI
InChI=1S/C84H164O17P2/c1-9-75(6)61-53-45-37-33-29-25-21-17-13-15-18-22-26-30-34-38-48-56-64-81(86)94-70-79(100-83(88)66-58-50-39-35-31-27-23-19-14-12-16-20-24-28-32-36-44-52-60-74(4)5)72-98-102(90,91)96-68-78(85)69-97-103(92,93)99-73-80(101-84(89)67-59-51-43-41-47-55-63-77(8)11-3)71-95-82(87)65-57-49-42-40-46-54-62-76(7)10-2/h74-80,85H,9-73H2,1-8H3,(H,90,91)(H,92,93)/t75?,76?,77?,78-,79-,80-/m1/s1
InChIKey
OBWRTNCDOUXFTI-JVPGIEMGSA-N
Compound name
[(2R)-3-[[(2R)-3-[[(2R)-2,3-bis(10-methyldodecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-(22-methyltricosanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1507.1444 Da
Monoisotopic Mass

30.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1508.1517 426.8
[M+Na]+ 1530.1336 421.1
[M+NH4]+ 1525.1782 440.7
[M+K]+ 1546.1076 433.0
[M-H]- 1506.1371 416.5
[M+Na-2H]- 1528.1191 415.9
[M]+ 1507.1439 427.0
[M]- 1507.1449 427.0
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.