CID 5274145

2,4(1h,3h)-pyrimidinedione, 1-[5-o-[(aminocarbonyl)hydroxyphosphinyl]-.beta.-d-ribofuranosyl]-

Structural Information

Molecular Formula
C10H14N3O9P
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(C(=O)N)O)O)O
InChI
InChI=1S/C10H14N3O9P/c11-9(17)23(19,20)21-3-4-6(15)7(16)8(22-4)13-2-1-5(14)12-10(13)18/h1-2,4,6-8,15-16H,3H2,(H2,11,17)(H,19,20)(H,12,14,18)/t4-,6-,7-,8-/m1/s1
InChIKey
OPFMYQCVDPJPPZ-XVFCMESISA-N
Compound name
carbamoyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.04675 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05403 170.0
[M+Na]+ 374.03597 175.8
[M-H]- 350.03947 168.8
[M+NH4]+ 369.08057 177.3
[M+K]+ 390.00991 175.6
[M+H-H2O]+ 334.04401 160.6
[M+HCOO]- 396.04495 188.7
[M+CH3COO]- 410.06060 204.3
[M+Na-2H]- 372.02142 168.5
[M]+ 351.04620 169.4
[M]- 351.04730 169.4
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.