CID 131823191

Pgp(i-12:0/i-12:0)

Structural Information

Molecular Formula
C30H60O13P2
SMILES
CC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C30H60O13P2/c1-25(2)17-13-9-5-7-11-15-19-29(32)39-23-28(43-30(33)20-16-12-8-6-10-14-18-26(3)4)24-42-45(37,38)41-22-27(31)21-40-44(34,35)36/h25-28,31H,5-24H2,1-4H3,(H,37,38)(H2,34,35,36)/t27-,28+/m0/s1
InChIKey
OUSBWZTXQPOWTO-WUFINQPMSA-N
Compound name
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

690.3509 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.35818 268.1
[M+Na]+ 713.34012 265.9
[M-H]- 689.34362 268.0
[M+NH4]+ 708.38472 277.4
[M+K]+ 729.31406 266.7
[M+H-H2O]+ 673.34816 250.2
[M+HCOO]- 735.34910 262.1
[M+CH3COO]- 749.36475 267.5
[M+Na-2H]- 711.32557 245.8
[M]+ 690.35035 268.7
[M]- 690.35145 268.7
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.