CID 504714

D-glucitol, 2-(acetylamino)-2-deoxy-6-o-(diethoxyphosphinyl)-

Structural Information

Molecular Formula
C12H26NO9P
SMILES
CCOP(=O)(OCC)OC[C@H]([C@H]([C@@H]([C@H](CO)NC(=O)C)O)O)O
InChI
InChI=1S/C12H26NO9P/c1-4-20-23(19,21-5-2)22-7-10(16)12(18)11(17)9(6-14)13-8(3)15/h9-12,14,16-18H,4-7H2,1-3H3,(H,13,15)/t9-,10+,11+,12+/m0/s1
InChIKey
XUOLFRDQUIYYQU-IRCOFANPSA-N
Compound name
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.13452 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14180 187.3
[M+Na]+ 382.12374 191.3
[M-H]- 358.12724 189.7
[M+NH4]+ 377.16834 189.7
[M+K]+ 398.09768 183.8
[M+H-H2O]+ 342.13178 178.5
[M+HCOO]- 404.13272 187.7
[M+CH3COO]- 418.14837 209.0
[M+Na-2H]- 380.10919 175.9
[M]+ 359.13397 181.7
[M]- 359.13507 181.7
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.