CID 5274147

2,4(1h,3h)-pyrimidinedione, 1-[5-o-[(aminocarbonyl)hydroxyphosphinyl]-2-deoxy-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C11H16N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(=O)N)O)O
InChI
InChI=1S/C11H16N3O8P/c1-5-3-14(11(18)13-9(5)16)8-2-6(15)7(22-8)4-21-23(19,20)10(12)17/h3,6-8,15H,2,4H2,1H3,(H2,12,17)(H,19,20)(H,13,16,18)/t6-,7+,8+/m0/s1
InChIKey
LTRTVFMTXFVTAI-XLPZGREQSA-N
Compound name
carbamoyl-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0675 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07478 172.2
[M+Na]+ 372.05672 178.6
[M-H]- 348.06022 172.3
[M+NH4]+ 367.10132 180.6
[M+K]+ 388.03066 178.0
[M+H-H2O]+ 332.06476 162.8
[M+HCOO]- 394.06570 192.0
[M+CH3COO]- 408.08135 206.6
[M+Na-2H]- 370.04217 170.4
[M]+ 349.06695 172.5
[M]- 349.06805 172.5
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.