CID 456099

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta-d-ribofuranosyl]-4,5-bis[(methoxy)carbonyl]-1,2,3-triazole]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole 2'',2''-dioxide)

Structural Information

Molecular Formula
C25H44N4O10SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C(=C(N=N3)C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C25H44N4O10SSi2/c1-23(2,3)41(9,10)36-13-16-25(15(26)14-40(32,33)39-25)19(38-42(11,12)24(4,5)6)20(37-16)29-18(22(31)35-8)17(27-28-29)21(30)34-7/h14,16,19-20H,13,26H2,1-12H3/t16-,19+,20-,25?/m1/s1
InChIKey
HDDWCVAMBNMXOM-IWSLRAMPSA-N
Compound name
dimethyl 1-[(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]triazole-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

648.2317 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.23898 233.1
[M+Na]+ 671.22092 236.7
[M-H]- 647.22442 239.8
[M+NH4]+ 666.26552 238.7
[M+K]+ 687.19486 242.2
[M+H-H2O]+ 631.22896 233.8
[M+HCOO]- 693.22990 237.3
[M+CH3COO]- 707.24555 259.5
[M+Na-2H]- 669.20637 237.6
[M]+ 648.23115 247.3
[M]- 648.23225 247.3
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.