CID 131781753

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

Structural Information

Molecular Formula
C73H142O17P2
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC)O
InChI
InChI=1S/C73H142O17P2/c1-9-63(5)49-41-33-25-23-21-19-17-15-13-14-16-18-20-22-24-26-39-47-55-72(77)89-68(59-83-70(75)53-45-37-30-27-34-42-50-64(6)10-2)61-87-91(79,80)85-57-67(74)58-86-92(81,82)88-62-69(90-73(78)56-48-40-32-29-36-44-52-66(8)12-4)60-84-71(76)54-46-38-31-28-35-43-51-65(7)11-3/h63-69,74H,9-62H2,1-8H3,(H,79,80)(H,81,82)/t63?,64?,65?,66?,67-,68+,69+/m0/s1
InChIKey
OOBTUIMMUMHFQQ-JFBSXBRKSA-N
Compound name
[(2R)-1-[[(2S)-3-[[(2R)-2,3-bis(10-methyldodecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1352.9722 Da
Monoisotopic Mass

25.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1353.9795 399.7
[M+Na]+ 1375.9614 394.9
[M+NH4]+ 1371.0060 414.0
[M+K]+ 1391.9354 405.0
[M-H]- 1351.9649 392.6
[M+Na-2H]- 1373.9469 391.5
[M]+ 1352.9717 400.5
[M]- 1352.9727 400.5
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.