CID 154573718

Ddhutp

Structural Information

Molecular Formula
C9H13N2O14P3
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H](C=C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C9H13N2O14P3/c12-6-3-5(23-8(6)11-2-1-7(13)10-9(11)14)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-3,6,8,12H,4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t6-,8-/m1/s1
InChIKey
DKBYXYLHITWDDN-HTRCEHHLSA-N
Compound name
[[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

465.95798 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.96526 184.4
[M+Na]+ 488.94720 188.9
[M+NH4]+ 483.99180 183.1
[M+K]+ 504.92114 188.8
[M-H]- 464.95070 175.7
[M+Na-2H]- 486.93265 187.3
[M]+ 465.95743 180.6
[M]- 465.95853 180.6
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

patents stripe