CID 16197656

Dimethoxytrityl-tgggag-3'

Structural Information

Molecular Formula
C81H93N27O39P6
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C81H93N27O39P6/c1-36-23-103(80(115)102-71(36)110)55-18-43(53(137-55)29-135-153(126,127)147-81(37-7-5-4-6-8-37,38-9-13-40(128-2)14-10-38)39-11-15-41(129-3)16-12-39)142-149(118,119)132-26-50-45(20-57(139-50)106-33-91-62-68(106)95-77(84)99-73(62)112)145-151(122,123)134-28-52-47(22-59(141-52)108-35-93-64-70(108)97-79(86)101-75(64)114)146-152(124,125)133-27-51-46(21-58(140-51)107-34-92-63-69(107)96-78(85)100-74(63)113)144-150(120,121)131-25-49-44(19-56(138-49)104-31-89-60-65(82)87-30-88-66(60)104)143-148(116,117)130-24-48-42(109)17-54(136-48)105-32-90-61-67(105)94-76(83)98-72(61)111/h4-16,23,30-35,42-59,109H,17-22,24-29H2,1-3H3,(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H2,82,87,88)(H,102,110,115)(H3,83,94,98,111)(H3,84,95,99,112)(H3,85,96,100,113)(H3,86,97,101,114)
InChIKey
IDPBFCSWDZPENL-UHFFFAOYSA-N
Compound name
[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[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]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [bis(4-methoxyphenyl)-phenylmethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

2253.455 Da
Monoisotopic Mass

-8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2254.4623 238.2
[M+Na]+ 2276.4442 248.8
[M-H]- 2252.4477 238.5
[M+NH4]+ 2271.4888 241.9
[M+K]+ 2292.4182 245.0
[M+H-H2O]+ 2236.4523 236.7
[M+HCOO]- 2298.4532 242.8
[M+CH3COO]- 2312.4689 244.6
[M+Na-2H]- 2274.4297 247.8
[M]+ 2253.4545 246.9
[M]- 2253.4555 246.9
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.