CID 16186585

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

Structural Information

Molecular Formula
C92H110N27O34P5Si2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C9N=C(NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)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[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C
InChI
InChI=1S/C92H110N27O34P5Si2/c1-47-34-114(90(125)113-81(47)120)64-28-56(63(147-64)40-141-159(91(2,3)4,48-20-12-8-13-21-48)49-22-14-9-15-23-49)152-157(132,133)139-38-61-55(32-68(145-61)118-45-103-73-79(118)107-88(96)111-84(73)123)151-156(130,131)138-37-60-54(31-67(144-60)117-44-102-72-78(117)106-87(95)110-83(72)122)150-155(128,129)137-36-59-53(30-66(143-59)116-43-101-71-77(116)105-86(94)109-82(71)121)149-154(126,127)136-35-58-52(29-65(142-58)115-42-100-70-75(93)98-41-99-76(70)115)148-158(134,135)140-39-62-57(33-69(146-62)119-46-104-74-80(119)108-89(97)112-85(74)124)153-160(92(5,6)7,50-24-16-10-17-25-50)51-26-18-11-19-27-51/h8-27,34,41-46,52-69H,28-33,35-40H2,1-7H3,(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H2,93,98,99)(H,113,120,125)(H3,94,105,109,121)(H3,95,106,110,122)(H3,96,107,111,123)(H3,97,108,112,124)/t52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65?,66+,67+,68+,69+/m0/s1
InChIKey
JZJSQYJVSHMRPU-JWIPKZJCSA-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-[tert-butyl(diphenyl)silyl]oxyoxolan-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(diphenyl)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

2347.5935 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2348.6008 232.2
[M+Na]+ 2370.5827 243.4
[M-H]- 2346.5862 232.4
[M+NH4]+ 2365.6273 236.3
[M+K]+ 2386.5567 239.2
[M+H-H2O]+ 2330.5908 230.4
[M+HCOO]- 2392.5917 237.4
[M+CH3COO]- 2406.6074 239.3
[M+Na-2H]- 2368.5682 242.8
[M]+ 2347.5930 244.2
[M]- 2347.5940 244.2
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.