CID 5494415

6-o-phosphono-beta-d-psicofuranosonic acid

Structural Information

Molecular Formula
C6H11O10P
SMILES
C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1
InChIKey
LXQWHMQOSMCJIZ-ZGEUXELVSA-N
Compound name
(2R,3R,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.00897 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01625 150.1
[M+Na]+ 296.99819 155.8
[M-H]- 273.00169 145.4
[M+NH4]+ 292.04279 164.5
[M+K]+ 312.97213 156.9
[M+H-H2O]+ 257.00623 145.3
[M+HCOO]- 319.00717 167.8
[M+CH3COO]- 333.02282 181.6
[M+Na-2H]- 294.98364 152.1
[M]+ 274.00842 150.8
[M]- 274.00952 150.8
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

No patent data available for this compound.