CID 5274149

Schembl26202447

Structural Information

Molecular Formula
C10H15N2O8P
SMILES
CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI
InChI=1S/C10H15N2O8P/c1-21(17,18)19-4-5-7(14)8(15)9(20-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,11,13,16)/t5-,7-,8-,9-/m1/s1
InChIKey
YOJBFUODNDCGJH-ZOQUXTDFSA-N
Compound name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.0566 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06388 166.1
[M+Na]+ 345.04582 173.6
[M-H]- 321.04932 165.4
[M+NH4]+ 340.09042 175.8
[M+K]+ 361.01976 172.6
[M+H-H2O]+ 305.05386 157.3
[M+HCOO]- 367.05480 185.2
[M+CH3COO]- 381.07045 196.1
[M+Na-2H]- 343.03127 165.7
[M]+ 322.05605 167.4
[M]- 322.05715 167.4
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.