CID 6483026

1(2h)-pyrimidinehexanoic 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-, ethyl ester

Structural Information

Molecular Formula
C32H57N3O10SSi2
SMILES
CCOC(=O)CCCCCN1C(=O)C(=CN(C1=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)C
InChI
InChI=1S/C32H57N3O10SSi2/c1-13-41-25(36)17-15-14-16-18-34-27(37)22(2)19-35(29(34)38)28-26(44-48(11,12)31(6,7)8)32(23(33)21-46(39,40)45-32)24(43-28)20-42-47(9,10)30(3,4)5/h19,21,24,26,28H,13-18,20,33H2,1-12H3/t24-,26+,28-,32?/m1/s1
InChIKey
MCYWHNGDOZVYDQ-BKIIDXTRSA-N
Compound name
ethyl 6-[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]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

731.3303 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.33758 256.4
[M+Na]+ 754.31952 259.1
[M-H]- 730.32302 262.7
[M+NH4]+ 749.36412 258.3
[M+K]+ 770.29346 262.3
[M+H-H2O]+ 714.32756 254.5
[M+HCOO]- 776.32850 259.4
[M+CH3COO]- 790.34415 278.6
[M+Na-2H]- 752.30497 260.0
[M]+ 731.32975 272.2
[M]- 731.33085 272.2
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.