CID 168265094

[(1r)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(17-trimethylsilylheptadec-16-ynoxy)phosphinic acid

Structural Information

Molecular Formula
C29H52N5O4PSi
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OCCCCCCCCCCCCCCCC#C[Si](C)(C)C
InChI
InChI=1S/C29H52N5O4PSi/c1-26(22-34-24-33-27-28(30)31-23-32-29(27)34)37-25-39(35,36)38-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-40(2,3)4/h23-24,26H,5-18,20,22,25H2,1-4H3,(H,35,36)(H2,30,31,32)/t26-/m1/s1
InChIKey
NMYHAWZUIARTKC-AREMUKBSSA-N
Compound name
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(17-trimethylsilylheptadec-16-ynoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

593.3526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.35988 242.2
[M+Na]+ 616.34182 243.1
[M-H]- 592.34532 234.1
[M+NH4]+ 611.38642 241.4
[M+K]+ 632.31576 237.9
[M+H-H2O]+ 576.34986 222.3
[M+HCOO]- 638.35080 250.9
[M+CH3COO]- 652.36645 258.0
[M+Na-2H]- 614.32727 236.5
[M]+ 593.35205 244.8
[M]- 593.35315 244.8
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.