CID 54213352

4-(5-o-phosphonato-beta-d-ribofuranosyl)phenol(2-)

Structural Information

Molecular Formula
C11H15O8P
SMILES
C1=CC(=CC=C1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O
InChI
InChI=1S/C11H15O8P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-14H,5H2,(H2,15,16,17)/t8-,9-,10-,11+/m1/s1
InChIKey
PXLPZQRJCCAXJV-DBIOUOCHSA-N
Compound name
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-hydroxyphenyl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

306.05045 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05773 164.1
[M+Na]+ 329.03967 169.7
[M-H]- 305.04317 164.1
[M+NH4]+ 324.08427 176.3
[M+K]+ 345.01361 168.9
[M+H-H2O]+ 289.04771 156.7
[M+HCOO]- 351.04865 183.7
[M+CH3COO]- 365.06430 191.2
[M+Na-2H]- 327.02512 163.9
[M]+ 306.04990 164.2
[M]- 306.05100 164.2
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

No patent data available for this compound.