C53H66N7O8PSI CAS Uimh.: 104992-55-4 Adenosine, N-Benzoyl-5 ′ -o- [Bis (4-methoxyphenyl) Phenylmethyl] -2 ′-O- [(1,1-Dimethylethyl) DiMethylsyl]-, 3 ′-[2-Cyanyyl N, NA-BISYLSYL]-3 ′-[2-Cyanylyl N, N-Boisylyl] meitilitil) phosphoramidite] (ACI)

toradh

C53H66N7O8PSI CAS Uimh.: 104992-55-4 Adenosine, N-Benzoyl-5 ′ -o- [Bis (4-methoxyphenyl) Phenylmethyl] -2 ′-O- [(1,1-Dimethylethyl) DiMethylsyl]-, 3 ′-[2-Cyanyyl N, NA-BISYLSYL]-3 ′-[2-Cyanylyl N, N-Boisylyl] meitilitil) phosphoramidite] (ACI)

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Mionsonraí substainte

Uimhir Chlárlann CAS

104992-55-4

Príomh -airíonna fisiceacha Luach Coinníollacha a chur le
Meáchan móilíneach 988.19 -
PKA (tuartha) 7.87 ± 0.43 An luas is aigéid: 25 ° C.

Ainmneacha agus aitheantóirí eile

Smiles Canónach

N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1O [Si] (C) (C) C (C) (C) C) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) CC = C (OC) C = C7) N (C (C) C) C (C) C

Smiles isiméireach

C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (O [Si] (C (C) (C) C) (C) [C @@ H] (O1) N2C = 3C (N = C2) = C (NC (= O) C4 = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

Orlach

Inchi = 1S/C53H66N7O8PSI/C1-36 (2) 60 (37 (3) 4) 69 (65-32-18-31-54) 67-46-44 (33-64-53 (39-21-16-13-17-22-39,40-23-27-42 (62-8) 28-24-40-40 28-24-40) )) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 (46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49 (45) 59) 58-50 (61) 38-19-19-15-20-38) 58) 58-50 (61) 38-19-19-19-15-38) 2-17,19-30,34-37,44,46-47,51H, 18,32-33H2,1-11H3, (H, 55,56,58,61)/T44-, 46-, 47-, 51-, 69?/M1/S1

Eochair Inchi

FfxHncNnhasxct-rfmfgjhusa-n

1 ainm eile ar an tsubstaint seo

Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O- [(1,1-dimethylethyl) dimethylsilyl]-, 3 ′- [2-cyanoethyl bis (1- meitilitil) phosphoramidite] (9ci)

Speictream turgnamhach

Speictrim ar fáil
Mir

Airíonna tuartha

Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr

Bitheolaíoch

Maoin Luach Coinníollacha a chur le Aimsigh
Fachtóir bith -chomhchruinnithe 5.50 x 105 pH 1; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 2; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 3; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 4; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 5; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 6; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 7; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 8; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 9; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 10; TEMP: 25 ° C. (1) ACD

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Ceimiceán

Maoin Luach Coinníollacha a chur le Aimsigh
KOC 61500 pH 1; TEMP: 25 ° C. (1) ACD
KOC 1.64 x 106 pH 2; TEMP: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 3; TEMP: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 4; TEMP: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 5; TEMP: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 6; TEMP: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 7; TEMP: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 8; TEMP: 25 ° C. (1) ACD
KOC 3.20 x 106 pH 9; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
KOC 9.24 x 105 pH 10; TEMP: 25 ° C. (1) ACD
logáil 8.81 pH 1; TEMP: 25 ° C. (1) ACD
logáil 10.24 pH 2; TEMP: 25 ° C. (1) ACD
logáil 11.24 pH 3; TEMP: 25 ° C. (1) ACD
logáil 11.73 pH 4; TEMP: 25 ° C. (1) ACD
logáil 11.83 pH 5; TEMP: 25 ° C. (1) ACD
logáil 11.83 pH 6; TEMP: 25 ° C. (1) ACD
logáil 11.75 pH 7; TEMP: 25 ° C. (1) ACD
logáil 11.31 pH 8; TEMP: 25 ° C. (1) ACD
logáil 10.53 pH 9; TEMP: 25 ° C. (1) ACD
logáil 9.99 pH 10; TEMP: 25 ° C. (1) ACD
logáil 11.845 ± 0.715 TEMP: 25 ° C. (1) ACD
Aifreann Intreach intreach 1.2 x 10-5 g/L. TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.5 x 10-3 g/l pH 1; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.1 x 10-4 g/l pH 2; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-6 g/l pH 3; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.4 x 10-6 g/l pH 4; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 2.7 x 10-6 g/l pH 5; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 2.7 x 10-6 g/l pH 6; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.2 x 10-6 g/l pH 7; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 8.9 x 10-6 g/L. pH 8; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 6.3 x 10-5 g/l pH 9; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 4.2 x 10-4 g/l pH 10; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.2 x 10-6 g/l Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Intuaslagthacht intreach molar 1.2 x 10-8 mol/l TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 3.5 x 10-6 mol/l pH 1; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.1 x 10-7 mol/l pH 2; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.0 x 10-8 mol/l pH 3; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 3.4 x 10-9 mol/l pH 4; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 2.7 x 10-9 mol/l pH 5; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 2.7 x 10-9 mol/l pH 6; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 3.2 x 10-9 mol/l pH 7; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
Tuaslagthacht molar 9.0 x 10-9 mol/l pH 8; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 6.4 x 10-8 mol/l pH 9; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.2 x 10-7 mol/l pH 10; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 3.2 x 10-9 mol/l Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 988.19
pka 7.87 ± 0.43 An luas is aigéid: 25 ° C. (1) ACD
pka 3.45 ± 0.70 An luas is bunúsaí: 25 ° C. (1) ACD

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Lipinski

Maoin Luach Coinníollacha a chur le Aimsigh
Bannaí rotatable faoi shaoirse 21   (1) ACD
H Glacadóirí 15   (1) ACD
Hontóirí H. 1   (1) ACD
H suim deontóra/glacadóir 16   (1) ACD
logáil 11.845 ± 0.715 TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 988.19    

Ríofa ag úsáid

Maoin Luach Foinse choinníll
Achar dromchla polar 178 A2 (1) ACD

A bhaineann le struchtúr

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Bogearraí Ard-Cheimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Speictrim tuartha

Speictrim ar fáil
1 H NMR
13 C NMR


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