CID 3013606

[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[difluoro-[fluoro(hydroxy)phosphoryl]methyl]phosphinic acid

Structural Information

Molecular Formula
C11H15F3N5O11P3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)F)O)N=[N+]=[N-]
InChI
InChI=1S/C11H15F3N5O11P3/c1-5-3-19(10(21)16-9(5)20)8-2-6(17-18-15)7(29-8)4-28-33(26,27)30-32(24,25)11(12,13)31(14,22)23/h3,6-8H,2,4H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H,16,20,21)/t6-,7+,8+/m0/s1
InChIKey
OQNSCJZAYWOTBU-XLPZGREQSA-N
Compound name
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[difluoro-[fluoro(hydroxy)phosphoryl]methyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

542.9933 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.00058 209.4
[M+Na]+ 565.98252 221.6
[M-H]- 541.98602 224.7
[M+NH4]+ 561.02712 219.6
[M+K]+ 581.95646 206.6
[M+H-H2O]+ 525.99056 179.0
[M+HCOO]- 587.99150 242.2
[M+CH3COO]- 602.00715 235.4
[M+Na-2H]- 563.96797 219.0
[M]+ 542.99275 200.1
[M]- 542.99385 200.1
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.