CID 3010621

3-[3-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]propoxy-benzyloxycarbonyl-phosphinic acid

Structural Information

Molecular Formula
C35H56N3O13PSSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCOP(=O)(C(=O)OCC2=CC=CC=C2)O)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C35H56N3O13PSSi2/c1-24-20-38(31(40)37(29(24)39)18-15-19-47-52(42,43)32(41)46-21-25-16-13-12-14-17-25)30-28(50-55(10,11)34(5,6)7)35(26(36)23-53(44,45)51-35)27(49-30)22-48-54(8,9)33(2,3)4/h12-14,16-17,20,23,27-28,30H,15,18-19,21-22,36H2,1-11H3,(H,42,43)/t27-,28+,30-,35?/m1/s1
InChIKey
DDYSDFLNIDNUQI-RBYXWBELSA-N
Compound name
3-[3-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propoxy-phenylmethoxycarbonylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

845.281 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 846.28828 239.5
[M+Na]+ 868.27022 250.0
[M-H]- 844.27372 242.5
[M+NH4]+ 863.31482 243.6
[M+K]+ 884.24416 236.7
[M+H-H2O]+ 828.27826 226.5
[M+HCOO]- 890.27920 245.4
[M+CH3COO]- 904.29485 293.7
[M+Na-2H]- 866.25567 251.0
[M]+ 845.28045 252.0
[M]- 845.28155 252.0
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.