CID 462211

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

Structural Information

Molecular Formula
C31H57N3O10SSi3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)C4CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C31H57N3O10SSi3/c1-18(2)47(19(3)4)39-16-23(41-48(44-47,20(5)6)21(7)8)25-31(24(32)17-45(37,38)43-31)26(42-46(13,14)30(10,11)12)28(40-25)34-15-22(9)27(35)33-29(34)36/h15,17-21,23,25-26,28H,16,32H2,1-14H3,(H,33,35,36)/t23?,25-,26+,28-,31?/m1/s1
InChIKey
WZRUJAWSYZLYSO-DYOQXNNLSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-[2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepan-6-yl]-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

747.30725 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.31453 209.5
[M+Na]+ 770.29647 208.8
[M-H]- 746.29997 208.5
[M+NH4]+ 765.34107 209.7
[M+K]+ 786.27041 194.2
[M+H-H2O]+ 730.30451 199.3
[M+HCOO]- 792.30545 212.1
[M+CH3COO]- 806.32110 276.9
[M+Na-2H]- 768.28192 227.6
[M]+ 747.30670 224.4
[M]- 747.30780 224.4
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.