CID 3011348

1(2h)-pyrimidinepentanoic 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-, methyl ester

Structural Information

Molecular Formula
C30H53N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCC(=O)OC)[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/C30H53N3O10SSi2/c1-20-17-33(27(36)32(25(20)35)16-14-13-15-23(34)39-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(37,38)43-30)22(41-26)18-40-45(9,10)28(2,3)4/h17,19,22,24,26H,13-16,18,31H2,1-12H3/t22-,24+,26-,30?/m1/s1
InChIKey
ISYVFRFKIJQPED-KGGKJGQHSA-N
Compound name
methyl 5-[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]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

703.299 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.30628 248.7
[M+Na]+ 726.28822 252.3
[M-H]- 702.29172 255.4
[M+NH4]+ 721.33282 251.7
[M+K]+ 742.26216 255.7
[M+H-H2O]+ 686.29626 247.1
[M+HCOO]- 748.29720 252.3
[M+CH3COO]- 762.31285 273.3
[M+Na-2H]- 724.27367 253.0
[M]+ 703.29845 263.9
[M]- 703.29955 263.9
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.