CID 499310

Nsc669263

Structural Information

Molecular Formula
C25H47N3O10P2
SMILES
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C25H47N3O10P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-39(32,33)38-40(34,35)36-19-20-22(29)23(30)24(37-20)28-17-16-21(26)27-25(28)31/h16-17,20,22-24,29-30H,2-15,18-19H2,1H3,(H,32,33)(H,34,35)(H2,26,27,31)/t20-,22-,23-,24-/m1/s1
InChIKey
STWJHDKWJXFQNB-MSNJVRRCSA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hexadecylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

611.2737 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.28098 222.4
[M+Na]+ 634.26292 229.7
[M-H]- 610.26642 221.7
[M+NH4]+ 629.30752 223.0
[M+K]+ 650.23686 217.7
[M+H-H2O]+ 594.27096 232.8
[M+HCOO]- 656.27190 245.4
[M+CH3COO]- 670.28755 257.3
[M+Na-2H]- 632.24837 240.5
[M]+ 611.27315 217.5
[M]- 611.27425 217.5
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.