CID 3011335

1(2h)-pyrimidineacetic acid, 3-[(6r,8r,9r)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,6-dihydro-5-methyl-2,6-dioxo-

Structural Information

Molecular Formula
C26H45N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H45N3O10SSi2/c1-16-12-29(23(33)28(21(16)32)13-19(30)31)22-20(38-42(10,11)25(5,6)7)26(17(27)15-40(34,35)39-26)18(37-22)14-36-41(8,9)24(2,3)4/h12,15,18,20,22H,13-14,27H2,1-11H3,(H,30,31)/t18-,20+,22-,26?/m1/s1
InChIKey
YNHWBVLIRJDSMX-SKAUXQOCSA-N
Compound name
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]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

647.2364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.24368 233.5
[M+Na]+ 670.22562 238.3
[M-H]- 646.22912 239.6
[M+NH4]+ 665.27022 238.0
[M+K]+ 686.19956 241.6
[M+H-H2O]+ 630.23366 232.6
[M+HCOO]- 692.23460 236.9
[M+CH3COO]- 706.25025 261.4
[M+Na-2H]- 668.21107 238.9
[M]+ 647.23585 245.9
[M]- 647.23695 245.9
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.