CID 5272847

[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-phenyl-phosphinic acid

Structural Information

Molecular Formula
C16H19N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C16H19N2O7P/c1-10-8-18(16(21)17-15(10)20)14-7-12(19)13(25-14)9-24-26(22,23)11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,22,23)(H,17,20,21)/t12-,13+,14+/m0/s1
InChIKey
VUHOIUUYHPACKP-BFHYXJOUSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.093 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10028 184.3
[M+Na]+ 405.08222 191.0
[M-H]- 381.08572 187.9
[M+NH4]+ 400.12682 191.7
[M+K]+ 421.05616 188.7
[M+H-H2O]+ 365.09026 173.5
[M+HCOO]- 427.09120 204.0
[M+CH3COO]- 441.10685 209.9
[M+Na-2H]- 403.06767 182.9
[M]+ 382.09245 185.2
[M]- 382.09355 185.2
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.