CID 492204

Disodium n-octadecyl 6-o-carboxyphosphonyl-.alpha.-d-glucopyranoside

Structural Information

Molecular Formula
C25H49O10P
SMILES
CCCCCCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(C(=O)O)O)O)O)O
InChI
InChI=1S/C25H49O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-24-23(28)22(27)21(26)20(35-24)19-34-36(31,32)25(29)30/h20-24,26-28H,2-19H2,1H3,(H,29,30)(H,31,32)/t20-,21-,22+,23-,24+/m1/s1
InChIKey
QWMOGWPKJKDOGO-SJSRKZJXSA-N
Compound name
[hydroxy-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-octadecoxyoxan-2-yl]methoxy]phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

540.30634 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.31362 226.3
[M+Na]+ 563.29556 226.4
[M-H]- 539.29906 220.3
[M+NH4]+ 558.34016 223.4
[M+K]+ 579.26950 221.8
[M+H-H2O]+ 523.30360 216.7
[M+HCOO]- 585.30454 241.6
[M+CH3COO]- 599.32019 241.8
[M+Na-2H]- 561.28101 207.5
[M]+ 540.30579 221.7
[M]- 540.30689 221.7
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.