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Name |
5'-O-(4,4-Dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite |
EINECS | N/A |
CAS No. | 149989-64-0 | Density | N/A |
PSA | 187.16000 | LogP | 12.18920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C58H76N7O9PSi | Boiling Point | N/A |
Molecular Weight | 1074.32 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5'-O-(4,4-Dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite; |
The 5'-O-(4,4-Dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite with its cas register number is 149989-64-0. It also can be called as Adenosine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-[[4-(1,1-dimethylethyl)phenoxy]acetyl]-,3'-[2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI) and the Systematic name about this chemical is N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]purin-6-yl]-2-(4-tert-butylphenoxy)acetamide. It belongs to the following product categories, such as RNA Amidites, TBDMS RNA TAC Amidites, Sigma-Proligo and so on.
Physical properties about 5'-O-(4,4-Dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]-N-[[4-(tert-butyl)phenoxy]acetyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite are: (1)ACD/LogP: 13.37; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 13.36; (4)ACD/LogD (pH 7.4): 13.16; (5)#H bond acceptors: 16; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 24; (8)Polar Surface Area: 187.16Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)n2cnc3c2ncnc3NC(=O)COc4ccc(cc4)C(C)(C)C)COC(c5ccccc5)(c6ccc(cc6)OC)c7ccc(cc7)OC
(2)InChI: InChI=1/C58H76N7O9PSi/c1-39(2)65(40(3)4)75(71-34-18-33-59)73-51-48(35-70-58(42-19-16-15-17-20-42,43-23-27-45(67-11)28-24-43)44-25-29-46(68-12)30-26-44)72-55(52(51)74-76(13,14)57(8,9)10)64-38-62-50-53(60-37-61-54(50)64)63-49(66)36-69-47-31-21-41(22-32-47)56(5,6)7/h15-17,19-32,37-40,48,51-52,55H,18,34-36H2,1-14H3,(H,60,61,63,66)/t48-,51-,52-,55-,75?/m1/s1
(3)InChIKey: FWMHZIXOXNRHDJ-MGFFOSEMBG
(4)Std. InChI: InChI=1S/C58H76N7O9PSi/c1-39(2)65(40(3)4)75(71-34-18-33-59)73-51-48(35-70-58(42-19-16-15-17-20-42,43-23-27-45(67-11)28-24-43)44-25-29-46(68-12)30-26-44)72-55(52(51)74-76(13,14)57(8,9)10)64-38-62-50-53(60-37-61-54(50)64)63-49(66)36-69-47-31-21-41(22-32-47)56(5,6)7/h15-17,19-32,37-40,48,51-52,55H,18,34-36H2,1-14H3,(H,60,61,63,66)/t48-,51-,52-,55-,75?/m1/s1
(5)Std. InChIKey: FWMHZIXOXNRHDJ-MGFFOSEMSA-N