![C48H54N7O8P adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) fosfair amidite (ACI) le feiceáil i bhfosfair (ACI) le feiceáil.](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)
Uimhir Chlárlann CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
| Meáchan móilíneach | 887.96 | - |
| 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) C1OC) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 C7 C = C = C (OC) C (C7) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C (CC) C (C7 C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C (CC) C) C) C) C) C) C) C) C (C) C) C) C) C) C (C) C) C) C) C) C (C) C) C) C) C) C) CC (C7 C) C (C) C (C7 C) C (C) C) C (C7 C) C (C7).
Smiles isiméireach
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C = 3C (n = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = C4) N = CN3) ( C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Orlach
Inchi = 1S/C48H54N7O8P/C1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (42) 59-7) 54-31-52-41-41-44 (50-30-51-5 (41) 53) 53) 53) 53) 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,36-19-23-38 (57-5) 24-20-36) 37-21-25-39 (58-6) 26-22-37/H8-13,15-26,30-33,40,44) 2-43,47h, 14,28-29H2,1-7H3, (H, 50,51,53,56)/T40-, 42-, 43-, 47-, 64?/M1/S1
Eochair Inchi
Azcgotuyepxhmj-psvhyzmasa-n
2 ainm eile don tsubstaint seo
Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl bis (1-meitilethyl) phosphoramidite] (9ci); 5 ′ -O-(4,4 ′ -dimethoxytrityl) -N6-Benzoyl-2 ′-O-Methyladenosine 3 ′ -(2 -cyanoethylN,N-diisopropylphosphoramidite)
Speictrim ar fáil
13 C NMR
Hetero NMR
Mir
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 4050 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.08 x 105 | 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 | 2.10 x 105 | pH 9; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 60800 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 1830 | pH 1; TEMP: 25 ° C. | (1) ACD |
| KOC | 48700 | pH 2; TEMP: 25 ° C. | (1) ACD |
| KOC | 4.91 x 105 | pH 3; TEMP: 25 ° C. | (1) ACD |
| KOC | 1.52 x 106 | pH 4; TEMP: 25 ° C. | (1) ACD |
| KOC | 1.90 x 106 | pH 5; TEMP: 25 ° C. | (1) ACD |
| KOC | 1.91 x 106 | pH 6; TEMP: 25 ° C. | (1) ACD |
| KOC | 1.57 x 106 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 5.78 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
| KOC | 95000 | pH 9; TEMP: 25 ° C. | (1) ACD |
| KOC | 27500 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 6.01 | pH 1; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.43 | pH 2; TEMP: 25 ° C. | (1) ACD |
| logáil | 8.44 | pH 3; TEMP: 25 ° C. | (1) ACD |
| logáil | 8.93 | pH 4; TEMP: 25 ° C. | (1) ACD |
| logáil | 9.02 | pH 5; TEMP: 25 ° C. | (1) ACD |
| logáil | 9.02 | pH 6; TEMP: 25 ° C. | (1) ACD |
| logáil | 8.94 | pH 7; TEMP: 25 ° C. | (1) ACD |
| logáil | 8.51 | pH 8; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.72 | pH 9; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.18 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 9.038 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
| Aifreann Intreach intreach | 1.4 x 10-5 g/l | TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.014 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.3 x 10-4 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.3 x 10-5 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 1.7 x 10-5 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 1.3 x 10-5 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 1.3 x 10-5 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 1.7 x 10-5 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 4.5 x 10-5 g/L. | pH 8; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 2.8 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 9.8 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 1.7 x 10-5 g/l | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
| Intuaslagthacht intreach molar | 1.6 x 10-8 mol/l | TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.6 x 10-5 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.0 x 10-7 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.0 x 10-8 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.9 x 10-8 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.5 x 10-8 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Tuaslagthacht molar | 1.5 x 10-8 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.9 x 10-8 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 5.1 x 10-8 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 3.1 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.9 x 10-8 mol/l | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 887.96 | ||
| 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 | 19 | (1) ACD | |
| H Glacadóirí | 15 | (1) ACD | |
| Hontóirí H. | 1 | (1) ACD | |
| H suim deontóra/glacadóir | 16 | (1) ACD | |
| logáil | 9.038 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 887.96 |
.
| Maoin | Luach | Foinse choinníll |
| Achar dromchla polar | 178 A2 | (1) ACD |
.
Speictrim ar fáil
1 H NMR
13 C NMR
| Cód | Ráiteas guaise | Aimsigh |
| H335 | D’fhéadfadh sé a bheith ina chúis le greannú riospráide | Saineolaí coimeádaithe |
| Cód | Ráiteas guaise | Aimsigh |
| H331 | Tocsaineach má ionanálaítear é | Saineolaí coimeádaithe |
| H319 | Is cúis le greannú súl tromchúiseach | Saineolaí coimeádaithe |
| H315 | Is cúis le greannú craicinn | Saineolaí coimeádaithe |
| H311 | Tocsaineach i dteagmháil leis an gcraiceann | Saineolaí coimeádaithe |
| H301+H311+H331 | Tocsaineach má shlogtar é, i dteagmháil leis an gcraiceann nó le hionanálú | Saineolaí coimeádaithe |
| H301 | Tocsaineach má shlogtar é | Saineolaí coimeádaithe |
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