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)
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. |
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)
Speictrim ar fáil
Mir
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr
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 |
.
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 |
.
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 |
Maoin | Luach | Foinse choinníll |
Achar dromchla polar | 178 A2 | (1) ACD |
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Bogearraí Ard-Cheimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim ar fáil
1 H NMR
13 C NMR