CID 493510

3-[2-[2-[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]ethoxy]ethyl]-1-[(2r,4s,5s)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C38H62N8O13SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCOCCN2C(=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/C38H62N8O13SSi2/c1-23-18-45(29-17-25(41-42-40)26(20-47)56-29)34(50)43(31(23)48)13-15-54-16-14-44-32(49)24(2)19-46(35(44)51)33-30(58-62(11,12)37(6,7)8)38(27(39)22-60(52,53)59-38)28(57-33)21-55-61(9,10)36(3,4)5/h18-19,22,25-26,28-30,33,47H,13-17,20-21,39H2,1-12H3/t25-,26+,28+,29+,30-,33+,38?/m0/s1
InChIKey
GVSDNRFWWITAFF-AVXHXCEASA-N
Compound name
3-[2-[2-[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]ethoxy]ethyl]-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

926.36957 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 927.37685 252.7
[M+Na]+ 949.35879 261.6
[M-H]- 925.36229 253.9
[M+NH4]+ 944.40339 257.5
[M+K]+ 965.33273 254.5
[M+H-H2O]+ 909.36683 244.2
[M+HCOO]- 971.36777 258.7
[M+CH3COO]- 985.38342 311.7
[M+Na-2H]- 947.34424 273.7
[M]+ 926.36902 281.8
[M]- 926.37012 281.8
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.