CID 24892737

1-[2-[[[[3,4-dihydroxy-3-(hydroxymethyl)-2-methyl- tetrahydrofuran-5-yl]oxy-hydroxy-phosphinoyl]oxy-hydroxy- phosphinoyl]oxymethyl]-3-hydroxy-tetrahydrofuran-5-yl]-5-methyl- 1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C16H26N2O15P2
SMILES
C[C@H]1[C@@]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)(CO)O
InChI
InChI=1S/C16H26N2O15P2/c1-7-4-18(15(23)17-13(7)22)11-3-9(20)10(31-11)5-29-34(25,26)33-35(27,28)32-14-12(21)16(24,6-19)8(2)30-14/h4,8-12,14,19-21,24H,3,5-6H2,1-2H3,(H,25,26)(H,27,28)(H,17,22,23)/t8-,9-,10+,11+,12-,14+,16+/m0/s1
InChIKey
LOULRGSWJAXPFN-JHJMUWKLSA-N
Compound name
[(2R,3R,4S,5S)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

548.0809 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.08818 203.9
[M+Na]+ 571.07012 206.3
[M+NH4]+ 566.11472 203.7
[M+K]+ 587.04406 208.0
[M-H]- 547.07362 196.7
[M+Na-2H]- 569.05557 206.8
[M]+ 548.08035 201.4
[M]- 548.08145 201.4
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.