CID 449098

2'-deoxyuridine 5'-alpha,beta-imido-diphosphate

Structural Information

Molecular Formula
C9H15N3O10P2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(NP(=O)(O)O)O)O
InChI
InChI=1S/C9H15N3O10P2/c13-5-3-8(12-2-1-7(14)10-9(12)15)22-6(5)4-21-24(19,20)11-23(16,17)18/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H4,11,16,17,18,19,20)/t5-,6+,8+/m0/s1
InChIKey
COFNIXBQVWFHTR-SHYZEUOFSA-N
Compound name
[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

387.02325 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.03053 176.3
[M+Na]+ 410.01247 179.9
[M-H]- 386.01597 172.7
[M+NH4]+ 405.05707 181.7
[M+K]+ 425.98641 180.8
[M+H-H2O]+ 370.02051 164.7
[M+HCOO]- 432.02145 198.5
[M+CH3COO]- 446.03710 207.6
[M+Na-2H]- 407.99792 177.6
[M]+ 387.02270 175.7
[M]- 387.02380 175.7
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.