CID 493788

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

Structural Information

Molecular Formula
C26H45N3O8SSi2
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)C=C)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H45N3O8SSi2/c1-13-17-19(27)26(37-38(17,32)33)18(15-34-39(9,10)24(3,4)5)35-22(20(26)36-40(11,12)25(6,7)8)29-14-16(2)21(30)28-23(29)31/h13-14,18,20,22H,1,15,27H2,2-12H3,(H,28,30,31)/t18-,20+,22-,26?/m1/s1
InChIKey
SNMFKAHHODTTJY-SKAUXQOCSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-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

615.2466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.25388 231.8
[M+Na]+ 638.23582 238.0
[M-H]- 614.23932 237.9
[M+NH4]+ 633.28042 238.0
[M+K]+ 654.20976 238.7
[M+H-H2O]+ 598.24386 230.3
[M+HCOO]- 660.24480 235.7
[M+CH3COO]- 674.26045 256.0
[M+Na-2H]- 636.22127 235.9
[M]+ 615.24605 241.9
[M]- 615.24715 241.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.