CID 446113

Chembl396380

Structural Information

Molecular Formula
C6H16NO8P
SMILES
C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
InChI
InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKey
LBNVXZROMBUNNQ-SLPGGIOYSA-N
Compound name
[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

39
Patents

261.06134 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06862 157.0
[M+Na]+ 284.05056 158.8
[M-H]- 260.05406 146.9
[M+NH4]+ 279.09516 168.4
[M+K]+ 300.02450 159.5
[M+H-H2O]+ 244.05860 149.6
[M+HCOO]- 306.05954 173.3
[M+CH3COO]- 320.07519 185.2
[M+Na-2H]- 282.03601 153.1
[M]+ 261.06079 153.9
[M]- 261.06189 153.9
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

patents stripe