CID 475080

[tsao-t]-(ch2)3-[dthd]

Structural Information

Molecular Formula
C37H61N5O13SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCN2C(=O)C(=CN(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)C)[C@H]5C[C@@H]([C@H](O5)CO)O
InChI
InChI=1S/C37H61N5O13SSi2/c1-22-17-41(28-16-24(44)25(19-43)52-28)33(47)39(30(22)45)14-13-15-40-31(46)23(2)18-42(34(40)48)32-29(54-58(11,12)36(6,7)8)37(26(38)21-56(49,50)55-37)27(53-32)20-51-57(9,10)35(3,4)5/h17-18,21,24-25,27-29,32,43-44H,13-16,19-20,38H2,1-12H3/t24-,25+,27+,28+,29-,32+,37?/m0/s1
InChIKey
JUHITXIQAQEKJF-KWXIWLKHSA-N
Compound name
3-[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]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

871.35254 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 872.35982 241.8
[M+Na]+ 894.34176 251.3
[M-H]- 870.34526 241.4
[M+NH4]+ 889.38636 245.1
[M+K]+ 910.31570 241.6
[M+H-H2O]+ 854.34980 231.9
[M+HCOO]- 916.35074 246.7
[M+CH3COO]- 930.36639 250.3
[M+Na-2H]- 892.32721 249.7
[M]+ 871.35199 254.7
[M]- 871.35309 254.7
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.