CID 493780

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

Structural Information

Molecular Formula
C28H49N3O8SSi2
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)CC=C)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H49N3O8SSi2/c1-14-15-19-21(29)28(39-40(19,34)35)20(17-36-41(10,11)26(3,4)5)37-24(22(28)38-42(12,13)27(6,7)8)31-16-18(2)23(32)30(9)25(31)33/h14,16,20,22,24H,1,15,17,29H2,2-13H3/t20-,22+,24-,28?/m1/s1
InChIKey
UEFKFSSVVPRGNQ-LYRWLZIASA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-3-prop-2-enyl-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

643.2779 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.28518 237.5
[M+Na]+ 666.26712 244.1
[M-H]- 642.27062 244.9
[M+NH4]+ 661.31172 243.6
[M+K]+ 682.24106 245.2
[M+H-H2O]+ 626.27516 236.0
[M+HCOO]- 688.27610 242.3
[M+CH3COO]- 702.29175 264.7
[M+Na-2H]- 664.25257 241.0
[M]+ 643.27735 250.4
[M]- 643.27845 250.4
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.