CID 5273354

D-glucitol, 2,5-anhydro-1-deoxy-1-(eicosylhydroxyphosphinyl)-, ion(1-)

Structural Information

Molecular Formula
C26H53O6P
SMILES
CCCCCCCCCCCCCCCCCCCCP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C26H53O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(30,31)22-24-26(29)25(28)23(21-27)32-24/h23-29H,2-22H2,1H3,(H,30,31)/t23-,24+,25-,26-/m1/s1
InChIKey
ABZKSZDFJMLULF-XDZVQPMWSA-N
Compound name
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-icosylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.35797 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.36525 235.8
[M+Na]+ 515.34719 233.8
[M-H]- 491.35069 230.0
[M+NH4]+ 510.39179 219.0
[M+K]+ 531.32113 229.3
[M+H-H2O]+ 475.35523 226.4
[M+HCOO]- 537.35617 240.8
[M+CH3COO]- 551.37182 235.6
[M+Na-2H]- 513.33264 226.6
[M]+ 492.35742 242.4
[M]- 492.35852 242.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.