CID 14350928

2,3-diphytanyl-sn-glycero-1-phospho-(1'-sn-glycerol)

Structural Information

Molecular Formula
C46H95O8P
SMILES
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChI
InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40-,41-,42-,43-,44-,45-,46+/m1/s1
InChIKey
AFYVWQWWQKSZEV-XOXLRZKWSA-N
Compound name
[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

806.67645 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 807.68373 293.3
[M+Na]+ 829.66567 293.9
[M-H]- 805.66917 287.2
[M+NH4]+ 824.71027 305.1
[M+K]+ 845.63961 304.6
[M+H-H2O]+ 789.67371 285.8
[M+HCOO]- 851.67465 271.1
[M+CH3COO]- 865.69030 300.9
[M+Na-2H]- 827.65112 272.4
[M]+ 806.67590 294.4
[M]- 806.67700 294.4
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.