CID 6476958

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

Structural Information

Molecular Formula
C38H60N8O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C/C=C\CN2C(=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/C38H60N8O12SSi2/c1-23-18-45(29-17-25(41-42-40)26(20-47)55-29)34(50)43(31(23)48)15-13-14-16-44-32(49)24(2)19-46(35(44)51)33-30(57-61(11,12)37(6,7)8)38(27(39)22-59(52,53)58-38)28(56-33)21-54-60(9,10)36(3,4)5/h13-14,18-19,22,25-26,28-30,33,47H,15-17,20-21,39H2,1-12H3/b14-13-/t25-,26+,28+,29+,30-,33+,38?/m0/s1
InChIKey
VOIXVNFVCDIFEW-RDMZBFQSSA-N
Compound name
3-[(Z)-4-[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]but-2-enyl]-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

908.359 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 909.36628 249.4
[M+Na]+ 931.34822 258.5
[M-H]- 907.35172 250.7
[M+NH4]+ 926.39282 254.4
[M+K]+ 947.32216 251.4
[M+H-H2O]+ 891.35626 240.7
[M+HCOO]- 953.35720 255.6
[M+CH3COO]- 967.37285 308.7
[M+Na-2H]- 929.33367 270.4
[M]+ 908.35845 279.4
[M]- 908.35955 279.4
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.