CID 3010622

[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-hydroxy-phosphoryl]formic acid

Structural Information

Molecular Formula
C28H50N3O13PSSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCOP(=O)(C(=O)O)O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H50N3O13PSSi2/c1-18-15-31(24(33)30(22(18)32)13-12-14-40-45(36,37)25(34)35)23-21(43-48(10,11)27(5,6)7)28(19(29)17-46(38,39)44-28)20(42-23)16-41-47(8,9)26(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3,(H,34,35)(H,36,37)/t20-,21+,23-,28?/m1/s1
InChIKey
LIXVMHIWCAYOGN-BIKJXUOWSA-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-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

755.2341 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 756.24138 219.9
[M+Na]+ 778.22332 228.8
[M-H]- 754.22682 221.5
[M+NH4]+ 773.26792 223.2
[M+K]+ 794.19726 217.6
[M+H-H2O]+ 738.23136 208.5
[M+HCOO]- 800.23230 225.4
[M+CH3COO]- 814.24795 277.6
[M+Na-2H]- 776.20877 231.1
[M]+ 755.23355 227.3
[M]- 755.23465 227.3
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.