CID 493506

3-[6-[3-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]hexyl]-1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C40H65N5O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C)C)[C@H]5C=C[C@H](O5)CO
InChI
InChI=1S/C40H65N5O12SSi2/c1-26-21-44(31-18-17-28(23-46)54-31)36(49)42(33(26)47)19-15-13-14-16-20-43-34(48)27(2)22-45(37(43)50)35-32(56-60(11,12)39(6,7)8)40(29(41)25-58(51,52)57-40)30(55-35)24-53-59(9,10)38(3,4)5/h17-18,21-22,25,28,30-32,35,46H,13-16,19-20,23-24,41H2,1-12H3/t28-,30+,31+,32-,35+,40?/m0/s1
InChIKey
RXRUPEKXJDCHTK-XANNRKPOSA-N
Compound name
3-[6-[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]-5-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

895.3889 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 896.39618 246.3
[M+Na]+ 918.37812 256.5
[M-H]- 894.38162 246.3
[M+NH4]+ 913.42272 249.9
[M+K]+ 934.35206 245.6
[M+H-H2O]+ 878.38616 235.7
[M+HCOO]- 940.38710 251.4
[M+CH3COO]- 954.40275 306.6
[M+Na-2H]- 916.36357 254.1
[M]+ 895.38835 261.2
[M]- 895.38945 261.2
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.