CID 131823220

Pgp(i-13:0/i-24:0)

Structural Information

Molecular Formula
C43H86O13P2
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C43H86O13P2/c1-38(2)30-26-22-18-15-13-11-9-7-5-6-8-10-12-14-16-20-25-29-33-43(46)56-41(37-55-58(50,51)54-35-40(44)34-53-57(47,48)49)36-52-42(45)32-28-24-21-17-19-23-27-31-39(3)4/h38-41,44H,5-37H2,1-4H3,(H,50,51)(H2,47,48,49)/t40-,41+/m0/s1
InChIKey
KLBDCEJSBHBLFA-WVILEFPPSA-N
Compound name
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-(11-methyldodecanoyloxy)propan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

872.5544 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.56168 310.7
[M+Na]+ 895.54362 306.3
[M-H]- 871.54712 305.7
[M+NH4]+ 890.58822 319.9
[M+K]+ 911.51756 312.4
[M+H-H2O]+ 855.55166 291.5
[M+HCOO]- 917.55260 299.5
[M+CH3COO]- 931.56825 300.5
[M+Na-2H]- 893.52907 283.3
[M]+ 872.55385 313.9
[M]- 872.55495 313.9
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.