CID 475087

[tsao-t]-(ch2)8-[azt]

Structural Information

Molecular Formula
C42H70N8O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCCCN2C(=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@@H]([C@H](O5)CO)N=[N+]=[N-]
InChI
InChI=1S/C42H70N8O12SSi2/c1-27-22-49(33-21-29(45-46-44)30(24-51)59-33)38(54)47(35(27)52)19-17-15-13-14-16-18-20-48-36(53)28(2)23-50(39(48)55)37-34(61-65(11,12)41(6,7)8)42(31(43)26-63(56,57)62-42)32(60-37)25-58-64(9,10)40(3,4)5/h22-23,26,29-30,32-34,37,51H,13-21,24-25,43H2,1-12H3/t29-,30+,32+,33+,34-,37+,42?/m0/s1
InChIKey
IAGLCWYQSQJWIF-JEDDMFPKSA-N
Compound name
3-[8-[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]octyl]-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

1
References

0
Patents

966.43726 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 967.44454 261.4
[M+Na]+ 989.42648 270.8
[M-H]- 965.42998 262.7
[M+NH4]+ 984.47108 266.4
[M+K]+ 1005.4004 263.0
[M+H-H2O]+ 949.43452 252.5
[M+HCOO]- 1011.4355 267.3
[M+CH3COO]- 1025.4511 319.3
[M+Na-2H]- 987.41193 283.0
[M]+ 966.43671 291.6
[M]- 966.43781 291.6
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.