CID 5274144

2,4(1h,3h)-pyrimidinedione, 1-[5-o-[(chloromethyl)hydroxyphosphinyl]-.beta.-d-ribofuranosyl]-

Structural Information

Molecular Formula
C10H14ClN2O8P
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCl)O)O)O
InChI
InChI=1S/C10H14ClN2O8P/c11-4-22(18,19)20-3-5-7(15)8(16)9(21-5)13-2-1-6(14)12-10(13)17/h1-2,5,7-9,15-16H,3-4H2,(H,18,19)(H,12,14,17)/t5-,7-,8-,9-/m1/s1
InChIKey
AEENKEJXHCSHPF-ZOQUXTDFSA-N
Compound name
chloromethyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.01764 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02492 169.4
[M+Na]+ 379.00686 177.6
[M-H]- 355.01036 168.9
[M+NH4]+ 374.05146 178.7
[M+K]+ 394.98080 175.1
[M+H-H2O]+ 339.01490 161.3
[M+HCOO]- 401.01584 184.0
[M+CH3COO]- 415.03149 199.7
[M+Na-2H]- 376.99231 168.9
[M]+ 356.01709 172.6
[M]- 356.01819 172.6
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.