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

1
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]+ 229.01079 141.5
[M+Na]+ 250.99273 148.5
[M-H]- 226.99623 139.5
[M+NH4]+ 246.03733 157.6
[M+K]+ 266.96667 149.1
[M+H-H2O]+ 211.00077 135.5
[M+HCOO]- 273.00171 163.4
[M+CH3COO]- 287.01736 177.0
[M+Na-2H]- 248.97818 143.5
[M]+ 228.00296 142.8
[M]- 228.00406 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.