CID 475086

[tsao-t]-(ch2)7-[azt]

Structural Information

Molecular Formula
C41H68N8O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCCN2C(=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/C41H68N8O12SSi2/c1-26-21-48(32-20-28(44-45-43)29(23-50)58-32)37(53)46(34(26)51)18-16-14-13-15-17-19-47-35(52)27(2)22-49(38(47)54)36-33(60-64(11,12)40(6,7)8)41(30(42)25-62(55,56)61-41)31(59-36)24-57-63(9,10)39(3,4)5/h21-22,25,28-29,31-33,36,50H,13-20,23-24,42H2,1-12H3/t28-,29+,31+,32+,33-,36+,41?/m0/s1
InChIKey
OPORLRBRQYXOIT-YLJCFFLLSA-N
Compound name
3-[7-[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]heptyl]-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

952.4216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 953.42888 258.9
[M+Na]+ 975.41082 268.2
[M-H]- 951.41432 260.2
[M+NH4]+ 970.45542 263.8
[M+K]+ 991.38476 260.6
[M+H-H2O]+ 935.41886 250.1
[M+HCOO]- 997.41980 264.9
[M+CH3COO]- 1011.4355 316.9
[M+Na-2H]- 973.39627 280.4
[M]+ 952.42105 289.0
[M]- 952.42215 289.0
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.