CID 123658

D-ribulose 1,5-bisphosphate

Structural Information

Molecular Formula
C5H12O11P2
SMILES
C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1
InChIKey
YAHZABJORDUQGO-NQXXGFSBSA-N
Compound name
[(2R,3R)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

132
References

9903
Patents

309.98547 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99275 160.8
[M+Na]+ 332.97469 163.8
[M+NH4]+ 328.01929 166.6
[M+K]+ 348.94863 159.1
[M-H]- 308.97819 162.2
[M+Na-2H]- 330.96014 154.2
[M]+ 309.98492 160.9
[M]- 309.98602 160.9
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