CID 504709

[(2r,3s,4r,5s)-2,3,4,6-tetrahydroxy-5-(pentanoylamino)hexyl] dihydrogen phosphate

Structural Information

Molecular Formula
C11H24NO9P
SMILES
CCCCC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChI
InChI=1S/C11H24NO9P/c1-2-3-4-9(15)12-7(5-13)10(16)11(17)8(14)6-21-22(18,19)20/h7-8,10-11,13-14,16-17H,2-6H2,1H3,(H,12,15)(H2,18,19,20)/t7-,8+,10+,11+/m0/s1
InChIKey
LDWLZNNKZUCFGF-SCVMZPAESA-N
Compound name
[(2R,3S,4R,5S)-2,3,4,6-tetrahydroxy-5-(pentanoylamino)hexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.11887 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12615 181.1
[M+Na]+ 368.10809 183.1
[M-H]- 344.11159 182.8
[M+NH4]+ 363.15269 178.9
[M+K]+ 384.08203 175.5
[M+H-H2O]+ 328.11613 170.8
[M+HCOO]- 390.11707 178.5
[M+CH3COO]- 404.13272 202.1
[M+Na-2H]- 366.09354 173.2
[M]+ 345.11832 172.8
[M]- 345.11942 172.8
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.