CID 123699

64023-32-1

Structural Information

Molecular Formula
C34H66NO10P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C34H66NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41)/t30-,31+/m1/s1
InChIKey
WKJDWDLHIOUPPL-JSOSNVBQSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

66
References

4633
Patents

679.44244 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.44972 262.3
[M+Na]+ 702.43166 265.3
[M+NH4]+ 697.47626 269.3
[M+K]+ 718.40560 265.6
[M-H]- 678.43516 257.9
[M+Na-2H]- 700.41711 264.3
[M]+ 679.44189 262.4
[M]- 679.44299 262.4
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

patents stripe