CID 439184

D-ribulose 5-phosphate

Structural Information

Molecular Formula
C5H11O8P
SMILES
C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
InChIKey
FNZLKVNUWIIPSJ-UHNVWZDZSA-N
Compound name
[(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

173
References

8699
Patents

230.01915 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.026426 146.9
[M+Na]+ 253.008368 151.3
[M-H]- 229.011874 139.0
[M+NH4]+ 248.052973 161.1
[M+K]+ 268.982308 151.7
[M+H-H2O]+ 213.016410 140.3
[M+HCOO]- 275.017351 166.0
[M+CH3COO]- 289.033001 177.0
[M+Na-2H]- 250.993816 146.2
[M]+ 230.01860142 147.4
[M]- 230.01969858 147.4
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