CID 499784

[(2s,3s,4r,5r)-3-amino-4-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C10H16N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)N)O
InChI
InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-7(14)6(11)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
BOECYGFZFFYWPU-JXOAFFINSA-N
Compound name
[(2S,3S,4R,5R)-3-amino-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

337.0675 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07478 170.8
[M+Na]+ 360.05672 178.0
[M-H]- 336.06022 169.9
[M+NH4]+ 355.10132 179.4
[M+K]+ 376.03066 176.9
[M+H-H2O]+ 320.06476 161.7
[M+HCOO]- 382.06570 190.1
[M+CH3COO]- 396.08135 202.9
[M+Na-2H]- 358.04217 169.2
[M]+ 337.06695 170.6
[M]- 337.06805 170.6
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.