CID 493777

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

Structural Information

Molecular Formula
C27H49N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=C(S(=O)(=O)O3)C)NC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H49N3O8SSi2/c1-17-15-30(24(32)29(10)22(17)31)23-21(37-41(13,14)26(6,7)8)27(20(28-9)18(2)39(33,34)38-27)19(36-23)16-35-40(11,12)25(3,4)5/h15,19,21,23,28H,16H2,1-14H3/t19-,21+,23-,27?/m1/s1
InChIKey
AVSFAZHQPPPHIY-WTGDQTFLSA-N
Compound name
1-[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-(methylamino)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

631.2779 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.28518 233.4
[M+Na]+ 654.26712 240.2
[M-H]- 630.27062 241.5
[M+NH4]+ 649.31172 240.4
[M+K]+ 670.24106 242.4
[M+H-H2O]+ 614.27516 232.0
[M+HCOO]- 676.27610 239.0
[M+CH3COO]- 690.29175 263.0
[M+Na-2H]- 652.25257 238.2
[M]+ 631.27735 247.7
[M]- 631.27845 247.7
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.