CID 472692

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-octoxycarbonyl-phosphinic acid

Structural Information

Molecular Formula
C19H30N5O8P
SMILES
CCCCCCCCOC(=O)P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C19H30N5O8P/c1-3-4-5-6-7-8-9-30-19(27)33(28,29)31-12-15-14(22-23-20)10-16(32-15)24-11-13(2)17(25)21-18(24)26/h11,14-16H,3-10,12H2,1-2H3,(H,28,29)(H,21,25,26)/t14-,15+,16+/m0/s1
InChIKey
WXFQAUKLRKTUTC-ARFHVFGLSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxycarbonylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

487.1832 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.19048 210.0
[M+Na]+ 510.17242 212.0
[M-H]- 486.17592 213.5
[M+NH4]+ 505.21702 225.7
[M+K]+ 526.14636 206.3
[M+H-H2O]+ 470.18046 202.5
[M+HCOO]- 532.18140 246.8
[M+CH3COO]- 546.19705 235.1
[M+Na-2H]- 508.15787 212.8
[M]+ 487.18265 213.3
[M]- 487.18375 213.3
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.