CID 126843499

D-xylono-1,4-lactone 5-phosphate

Structural Information

Molecular Formula
C5H9O8P
SMILES
C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H9O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-4,6-7H,1H2,(H2,9,10,11)/t2-,3+,4-/m1/s1
InChIKey
BBDKIROTABXPPX-FLRLBIABSA-N
Compound name
[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.00351 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.010786 141.5
[M+Na]+ 250.992728 148.5
[M-H]- 226.996234 139.5
[M+NH4]+ 246.037333 157.6
[M+K]+ 266.966668 149.1
[M+H-H2O]+ 211.000770 135.5
[M+HCOO]- 273.001711 163.4
[M+CH3COO]- 287.017361 177.0
[M+Na-2H]- 248.978176 143.5
[M]+ 228.00296142 142.8
[M]- 228.00405858 142.8
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

No patent data available for this compound.