CID 454935

D4ct 5',5-opo3h2

Structural Information

Molecular Formula
C19H24N5O10P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)CO)OP(=O)(O)OC[C@@H]3C=C[C@@H](O3)N4C=CC(=NC4=O)N
InChI
InChI=1S/C19H24N5O10P/c1-10-7-24(19(28)22-17(10)26)16-6-12(13(8-25)33-16)34-35(29,30)31-9-11-2-3-15(32-11)23-5-4-14(20)21-18(23)27/h2-5,7,11-13,15-16,25H,6,8-9H2,1H3,(H,29,30)(H2,20,21,27)(H,22,26,28)/t11-,12?,13+,15+,16+/m0/s1
InChIKey
PPLGUADSFDZEEE-NPKAQUKQSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl [(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

513.1261 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.13338 210.3
[M+Na]+ 536.11532 214.9
[M-H]- 512.11882 215.9
[M+NH4]+ 531.15992 208.9
[M+K]+ 552.08926 215.3
[M+H-H2O]+ 496.12336 198.7
[M+HCOO]- 558.12430 226.2
[M+CH3COO]- 572.13995 238.4
[M+Na-2H]- 534.10077 205.3
[M]+ 513.12555 212.8
[M]- 513.12665 212.8
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.