CID 16186583

(tert-butyldimethylsilyl)-5'-tgggag-3'

Structural Information

Molecular Formula
C66H88N27O34P5Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C66H88N27O34P5Si/c1-26-13-88(65(100)87-56(26)95)40-8-32(38(122-40)19-116-133(5,6)66(2,3)4)127-132(109,110)115-18-37-31(12-44(121-37)93-25-78-49-55(93)82-64(71)86-60(49)99)126-131(107,108)114-17-36-30(11-43(120-36)92-24-77-48-54(92)81-63(70)85-59(48)98)125-130(105,106)113-16-35-29(10-42(119-35)91-23-76-47-53(91)80-62(69)84-58(47)97)124-129(103,104)112-15-34-28(9-41(118-34)89-21-74-45-50(67)72-20-73-51(45)89)123-128(101,102)111-14-33-27(94)7-39(117-33)90-22-75-46-52(90)79-61(68)83-57(46)96/h13,20-25,27-44,94H,7-12,14-19H2,1-6H3,(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H2,67,72,73)(H,87,95,100)(H3,68,79,83,96)(H3,69,80,84,97)(H3,70,81,85,98)(H3,71,82,86,99)/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41?,42+,43+,44+/m0/s1
InChIKey
JAAOFNOOAOCUHO-MFRKVYQBSA-N
Compound name
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1985.4445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1986.4518 247.0
[M+Na]+ 2008.4337 257.1
[M-H]- 1984.4372 244.6
[M+NH4]+ 2003.4783 249.7
[M+K]+ 2024.4077 254.4
[M+H-H2O]+ 1968.4418 244.9
[M+HCOO]- 2030.4427 250.4
[M+CH3COO]- 2044.4584 252.1
[M+Na-2H]- 2006.4192 249.5
[M]+ 1985.4440 253.4
[M]- 1985.4450 253.4
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.