CID 3010618

Methyl [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-methoxy-phosphoryl]formate

Structural Information

Molecular Formula
C30H54N3O13PSSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCOP(=O)(C(=O)OC)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/C30H54N3O13PSSi2/c1-20-17-33(26(35)32(24(20)34)15-14-16-42-47(37,41-9)27(36)40-8)25-23(45-50(12,13)29(5,6)7)30(21(31)19-48(38,39)46-30)22(44-25)18-43-49(10,11)28(2,3)4/h17,19,22-23,25H,14-16,18,31H2,1-13H3/t22-,23+,25-,30?,47?/m1/s1
InChIKey
DLNDONLSMKZXLS-BZJZDUAWSA-N
Compound name
methyl [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-methoxyphosphoryl]formate
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 223.0
[M+Na]+ 806.25452 232.3
[M-H]- 782.25802 225.1
[M+NH4]+ 801.29912 226.4
[M+K]+ 822.22846 219.5
[M+H-H2O]+ 766.26256 211.8
[M+HCOO]- 828.26350 228.6
[M+CH3COO]- 842.27915 285.2
[M+Na-2H]- 804.23997 234.6
[M]+ 783.26475 230.9
[M]- 783.26585 230.9
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.