CID 475084

[tsao-t]-(ch2)5-[azt]

Structural Information

Molecular Formula
C39H64N8O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCN2C(=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/C39H64N8O12SSi2/c1-24-19-46(30-18-26(42-43-41)27(21-48)56-30)35(51)44(32(24)49)16-14-13-15-17-45-33(50)25(2)20-47(36(45)52)34-31(58-62(11,12)38(6,7)8)39(28(40)23-60(53,54)59-39)29(57-34)22-55-61(9,10)37(3,4)5/h19-20,23,26-27,29-31,34,48H,13-18,21-22,40H2,1-12H3/t26-,27+,29+,30+,31-,34+,39?/m0/s1
InChIKey
TWFJOHAOYFGBOA-UIXGRUSJSA-N
Compound name
3-[5-[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]pentyl]-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

924.3903 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 925.39758 253.8
[M+Na]+ 947.37952 263.1
[M-H]- 923.38302 255.1
[M+NH4]+ 942.42412 258.8
[M+K]+ 963.35346 255.8
[M+H-H2O]+ 907.38756 245.1
[M+HCOO]- 969.38850 259.9
[M+CH3COO]- 983.40415 312.1
[M+Na-2H]- 945.36497 275.1
[M]+ 924.38975 283.9
[M]- 924.39085 283.9
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.