CID 465389

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-6-(methoxyimino)uracil]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole 2'',2''-dioxide)

Structural Information

Molecular Formula
C25H44N4O9SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C(=CC(=O)NC3=O)C(=N)OC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C25H44N4O9SSi2/c1-23(2,3)40(8,9)35-13-17-25(16(26)14-39(32,33)38-25)19(37-41(10,11)24(4,5)6)21(36-17)29-15(20(27)34-7)12-18(30)28-22(29)31/h12,14,17,19,21,27H,13,26H2,1-11H3,(H,28,30,31)/t17-,19+,21-,25?/m1/s1
InChIKey
YUARYVQBRQGRBI-AOCODVJISA-N
Compound name
methyl 3-[(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]-2,6-dioxopyrimidine-4-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

632.23676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.24404 233.2
[M+Na]+ 655.22598 237.2
[M-H]- 631.22948 239.0
[M+NH4]+ 650.27058 237.8
[M+K]+ 671.19992 239.8
[M+H-H2O]+ 615.23402 231.6
[M+HCOO]- 677.23496 237.6
[M+CH3COO]- 691.25061 259.9
[M+Na-2H]- 653.21143 226.8
[M]+ 632.23621 242.6
[M]- 632.23731 242.6
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.