CID 3010620

3-[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]propoxy-ethoxycarbonyl-phosphinic acid

Structural Information

Molecular Formula
C30H54N3O13PSSi2
SMILES
CCOC(=O)P(=O)(O)OCCCN1C(=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/C30H54N3O13PSSi2/c1-13-41-27(36)47(37,38)42-16-14-15-32-24(34)20(2)17-33(26(32)35)25-23(45-50(11,12)29(6,7)8)30(21(31)19-48(39,40)46-30)22(44-25)18-43-49(9,10)28(3,4)5/h17,19,22-23,25H,13-16,18,31H2,1-12H3,(H,37,38)/t22-,23+,25-,30?/m1/s1
InChIKey
CTSDERUTWFGEEA-QLRFXMFISA-N
Compound name
3-[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]propoxy-ethoxycarbonylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

783.2653 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 784.27258 224.2
[M+Na]+ 806.25452 233.4
[M-H]- 782.25802 226.1
[M+NH4]+ 801.29912 227.6
[M+K]+ 822.22846 221.2
[M+H-H2O]+ 766.26256 212.9
[M+HCOO]- 828.26350 229.7
[M+CH3COO]- 842.27915 283.7
[M+Na-2H]- 804.23997 235.7
[M]+ 783.26475 232.0
[M]- 783.26585 232.0
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.