CID 440650

D-glucuronic acid 1-phosphate

Structural Information

Molecular Formula
C6H11O10P
SMILES
[C@@H]1([C@@H]([C@H](OC([C@@H]1O)OP(=O)(O)O)C(=O)O)O)O
InChI
InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6?/m0/s1
InChIKey
AIQDYKMWENWVQJ-AQKNRBDQSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-phosphonooxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

135
Patents

274.00897 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01625 151.4
[M+Na]+ 296.99819 156.5
[M-H]- 273.00169 146.6
[M+NH4]+ 292.04279 162.3
[M+K]+ 312.97213 157.7
[M+H-H2O]+ 257.00623 144.5
[M+HCOO]- 319.00717 167.2
[M+CH3COO]- 333.02282 184.3
[M+Na-2H]- 294.98364 151.5
[M]+ 274.00842 150.2
[M]- 274.00952 150.2
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