CID 492208

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

Structural Information

Molecular Formula
C21H41O10P
SMILES
CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(C(=O)O)O)O)O)O
InChI
InChI=1S/C21H41O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-20-19(24)18(23)17(22)16(31-20)15-30-32(27,28)21(25)26/h16-20,22-24H,2-15H2,1H3,(H,25,26)(H,27,28)/t16-,17-,18+,19-,20+/m1/s1
InChIKey
GEKDHTFJEZRTHK-OBKDMQGPSA-N
Compound name
[hydroxy-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-tetradecoxyoxan-2-yl]methoxy]phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

484.24374 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.25102 217.6
[M+Na]+ 507.23296 212.6
[M-H]- 483.23646 207.3
[M+NH4]+ 502.27756 209.0
[M+K]+ 523.20690 215.9
[M+H-H2O]+ 467.24100 208.0
[M+HCOO]- 529.24194 228.7
[M+CH3COO]- 543.25759 230.3
[M+Na-2H]- 505.21841 211.3
[M]+ 484.24319 207.2
[M]- 484.24429 207.2
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.