CID 10260133

Chembl3144323

Structural Information

Molecular Formula
C37H60N8O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H]([C@]4([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@@H]([C@H](O5)CO)N=[N+]=[N-]
InChI
InChI=1S/C37H60N8O12SSi2/c1-22-17-44(28-16-24(40-41-39)25(19-46)54-28)33(49)42(30(22)47)14-13-15-43-31(48)23(2)18-45(34(43)50)32-29(56-60(11,12)36(6,7)8)37(26(38)21-58(51,52)57-37)27(55-32)20-53-59(9,10)35(3,4)5/h17-18,21,24-25,27-29,32,46H,13-16,19-20,38H2,1-12H3/t24-,25+,27+,28+,29-,32+,37+/m0/s1
InChIKey
OJGQXYNXVUIBPP-ZCLLIGHMSA-N
Compound name
3-[3-[3-[(5R,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]propyl]-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

896.359 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 897.36628 248.7
[M+Na]+ 919.34822 258.0
[M-H]- 895.35172 250.0
[M+NH4]+ 914.39282 253.7
[M+K]+ 935.32216 251.0
[M+H-H2O]+ 879.35626 240.2
[M+HCOO]- 941.35720 255.0
[M+CH3COO]- 955.37285 307.3
[M+Na-2H]- 917.33367 269.7
[M]+ 896.35845 278.7
[M]- 896.35955 278.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.