CID 493517

1-[(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]-3-[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]hexa-2,4-diynyl]-5-methylpyrimidine-2,4-dione

Structural Information

Molecular Formula
C54H88N6O16S2Si4
SMILES
CC1=CN(C(=O)N(C1=O)CC#CC#CCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C)C)[C@H]5[C@@H](C6([C@H](O5)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O6)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C54H88N6O16S2Si4/c1-35-29-59(45-41(73-81(19,20)51(9,10)11)53(37(55)33-77(65,66)75-53)39(71-45)31-69-79(15,16)49(3,4)5)47(63)57(43(35)61)27-25-23-24-26-28-58-44(62)36(2)30-60(48(58)64)46-42(74-82(21,22)52(12,13)14)54(38(56)34-78(67,68)76-54)40(72-46)32-70-80(17,18)50(6,7)8/h29-30,33-34,39-42,45-46H,27-28,31-32,55-56H2,1-22H3/t39-,40-,41+,42+,45-,46-,53?,54?/m1/s1
InChIKey
ZDTPXFYSTRTGTO-SZUKBPOPSA-N
Compound name
1-[(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]-3-[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]hexa-2,4-diynyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1252.4775 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1253.4848 287.9
[M+Na]+ 1275.4667 294.7
[M-H]- 1251.4702 282.1
[M+NH4]+ 1270.5113 288.7
[M+K]+ 1291.4407 284.6
[M+H-H2O]+ 1235.4748 280.7
[M+HCOO]- 1297.4757 289.2
[M+CH3COO]- 1311.4914 290.9
[M+Na-2H]- 1273.4522 293.5
[M]+ 1252.4770 297.2
[M]- 1252.4780 297.2
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.