CID 13831993

Beta-(2,6-anhydro-3-deoxy-d-arabino-heptulopyranosid)onate 7-phosphate

Structural Information

Molecular Formula
C7H13O9P
SMILES
C1[C@H]([C@@H]([C@H](O[C@H]1C(=O)O)COP(=O)(O)O)O)O
InChI
InChI=1S/C7H13O9P/c8-3-1-4(7(10)11)16-5(6(3)9)2-15-17(12,13)14/h3-6,8-9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,4-,5-,6+/m1/s1
InChIKey
ICIUJGMQSZZMJS-KAZBKCHUSA-N
Compound name
(2R,4R,5S,6R)-4,5-dihydroxy-6-(phosphonooxymethyl)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.02972 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03700 153.8
[M+Na]+ 295.01894 158.4
[M-H]- 271.02244 149.9
[M+NH4]+ 290.06354 165.4
[M+K]+ 310.99288 159.3
[M+H-H2O]+ 255.02698 146.6
[M+HCOO]- 317.02792 170.7
[M+CH3COO]- 331.04357 185.1
[M+Na-2H]- 293.00439 154.1
[M]+ 272.02917 152.9
[M]- 272.03027 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe