CID 493782

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

Structural Information

Molecular Formula
C24H42ClN3O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=C(S(=O)(=O)O3)Cl)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H42ClN3O8SSi2/c1-14-12-28(21(30)27-19(14)29)20-17(35-39(10,11)23(5,6)7)24(16(26)18(25)37(31,32)36-24)15(34-20)13-33-38(8,9)22(2,3)4/h12,15,17,20H,13,26H2,1-11H3,(H,27,29,30)/t15-,17+,20-,24?/m1/s1
InChIKey
ZRFRWUCRIWPKOI-PGCSCVJBSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

623.19196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.19924 231.4
[M+Na]+ 646.18118 238.7
[M-H]- 622.18468 238.3
[M+NH4]+ 641.22578 238.4
[M+K]+ 662.15512 239.0
[M+H-H2O]+ 606.18922 230.5
[M+HCOO]- 668.19016 231.6
[M+CH3COO]- 682.20581 254.2
[M+Na-2H]- 644.16663 235.9
[M]+ 623.19141 243.4
[M]- 623.19251 243.4
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.