CID 504711

Chembl4790337

Structural Information

Molecular Formula
C8H20NO8P
SMILES
COP(=O)(OC)OC[C@H]([C@H]([C@@H]([C@H](CO)N)O)O)O
InChI
InChI=1S/C8H20NO8P/c1-15-18(14,16-2)17-4-6(11)8(13)7(12)5(9)3-10/h5-8,10-13H,3-4,9H2,1-2H3/t5-,6+,7+,8+/m0/s1
InChIKey
SAMOTEBVESGLLC-LXGUWJNJSA-N
Compound name
[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.09265 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09993 164.4
[M+Na]+ 312.08187 166.4
[M-H]- 288.08537 156.9
[M+NH4]+ 307.12647 166.2
[M+K]+ 328.05581 168.3
[M+H-H2O]+ 272.08991 156.6
[M+HCOO]- 334.09085 170.2
[M+CH3COO]- 348.10650 195.0
[M+Na-2H]- 310.06732 160.9
[M]+ 289.09210 166.0
[M]- 289.09320 166.0
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.