CID 49768037

[[[(2r,3s,4e,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-(fluoromethylene)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]phosphonic acid

Structural Information

Molecular Formula
C10H15FN4O9P2
SMILES
C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)O)O)O
InChI
InChI=1S/C10H15FN4O9P2/c11-3-5-8(16)6(4-23-26(21,22)14-25(18,19)20)24-9(5)15-2-1-7(12)13-10(15)17/h1-3,6,8-9,16H,4H2,(H2,12,13,17)(H4,14,18,19,20,21,22)/b5-3+/t6-,8+,9-/m1/s1
InChIKey
RKZBBJDXJMUTNP-ASKVSEFXSA-N
Compound name
[[[(2R,3S,4E,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.02982 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03710 184.4
[M+Na]+ 439.01904 188.3
[M-H]- 415.02254 180.6
[M+NH4]+ 434.06364 189.1
[M+K]+ 454.99298 188.5
[M+H-H2O]+ 399.02708 171.7
[M+HCOO]- 461.02802 207.0
[M+CH3COO]- 475.04367 218.7
[M+Na-2H]- 437.00449 183.8
[M]+ 416.02927 182.0
[M]- 416.03037 182.0
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.