CID 462212

[1-[2',5',6'-tri-o-(tert-butyldimethylsilyl)-.beta.-d-allofuranosyl]thymine]-3'-spiro-5""""""""-(4""""""""-amino-1"""""""",2""""""""-oxathiole-2"""""""",2""""""""-dioxide)

Structural Information

Molecular Formula
C31H59N3O9SSi3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C31H59N3O9SSi3/c1-20-17-34(27(36)33-25(20)35)26-24(42-47(15,16)30(8,9)10)31(22(32)19-44(37,38)43-31)23(40-26)21(41-46(13,14)29(5,6)7)18-39-45(11,12)28(2,3)4/h17,19,21,23-24,26H,18,32H2,1-16H3,(H,33,35,36)/t21?,23-,24+,26-,31?/m1/s1
InChIKey
JINIUIOYKBMVNM-TZTKUFFHSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-9-[tert-butyl(dimethyl)silyl]oxy-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

0
References

0
Patents

733.328 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.335276 248.7
[M+Na]+ 756.317218 250.4
[M-H]- 732.320724 253.6
[M+NH4]+ 751.361823 250.6
[M+K]+ 772.291158 254.9
[M+H-H2O]+ 716.325260 248.4
[M+HCOO]- 778.326201 247.2
[M+CH3COO]- 792.341851 274.5
[M+Na-2H]- 754.302666 235.8
[M]+ 733.32745142 260.4
[M]- 733.32854858 260.4
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.