![C39H37N5O7 adenosine, N-Benzoyl-5'-O-O-[Bis (4-Methoxyphenyl) Phenylmethyl] -2 'o-meitil- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 adenosine, N-Benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′- O-meitil- (9ci, ACI) Íomhá le feiceáil](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 adenosine, N-Benzoyl-5'-O-O-[Bis (4-Methoxyphenyl) Phenylmethyl] -2 'o-meitil- (9ci, ACI)
| Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
| Meáchan móilíneach | 687.74 | - |
| Dlús (tuartha) | 1.32 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
| PKA (tuartha) | 7.87 ± 0.43 | An luas is aigéid: 25 ° C. |
Smiles canóracha O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OC) C = 7C = CC = CC7
Smiles isiméireach
C (OC [c@h] 1o [c@h] ([c@h] (oc) [c @@ h] 1o) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (oc) c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c (c7) C7)
Orlach
Inchi = 1S/C39H37N5O7/C1-47-29-18-14-27 (15-19-29) 39 (26-12-8-5-9-13-26,28-16-20-30 (48-2) 21-17-28) 50-22-31-33 (45) 34 (49-3) 38 (51-31-33 (45) 34) 38) 31) 44-24-42-32-35 (40-23-41-36 (32) 43-37 (46) 25-10-6-4-7-11-25/H4-21,23-24,31,33-34,38,45H, 22H2,1-3H3, (H, 40,43,43,46)/t31-3h3, (H, 40,43,43,46)/t31-3h3, 43,43,43,46)
34-, 38-/M1/S1
Eochair Inchi
Sarhdaqoznkzcc-cjegosrcsa-n
1 ainm eile ar an tsubstaint seo
N-Benzoyl-5′-O-O-[Bis (4-Methoxyphenyl) Phenylmethyl] -2′-O-Methyladenosine (ACI)
Speictrim ar fáil
1H NMR
13c NMR
Mir
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Dlús
Lipinski
A bhaineann le struchtúr
Bitheolaíoch
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 47800 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.63 x 105 | pH 2; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.16 x 105 | pH 3; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.23 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.23 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.18 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.79 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 64900 | pH 8; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 10600 | pH 9; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 3110 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 50200 | pH 1; TEMP: 25 ° C. | (1) ACD |
| KOC | 1.71 x 105 | pH 2; TEMP: 25 ° C. | (1) ACD |
| KOC | 2.26 x 105 | pH 3; TEMP: 25 ° C. | (1) ACD |
| KOC | 2.34 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
| KOC | 2.34 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
| KOC | 2.29 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
| KOC | 1.88 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 68000 | pH 8; TEMP: 25 ° C. | (1) ACD |
| KOC | 11200 | pH 9; TEMP: 25 ° C. | (1) ACD |
| KOC | 3260 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 6.67 | pH 1; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.21 | pH 2; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.33 | pH 3; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.34 | pH 4; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.34 | pH 5; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.33 | pH 6; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.25 | pH 7; TEMP: 25 ° C. | (1) ACD |
| logáil | 6.80 | pH 8; TEMP: 25 ° C. | (1) ACD |
| logáil | 6.02 | pH 9; TEMP: 25 ° C. | (1) ACD |
| logáil | 5.49 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 7.344 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
| Aifreann Intreach intreach | 2.7 x 10-6 g/l | TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 1.2 x 10-5 g/L. | pH 1; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.7 x 10-6 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 2.8 x 10-6 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 2.8 x 10-6 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 2.8 x 10-6 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 2.8 x 10-6 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.4 x 10-6 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 9.6 x 10-6 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.7 x 10-5 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 1.9 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.4 x 10-6 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Intuaslagthacht intreach molar | 3.9 x 10-9 mol/l | TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.8 x 10-8 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 5.4 x 10-9 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 4.1 x 10-9 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 4.0 x 10-9 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 4.0 x 10-9 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Tuaslagthacht molar | 4.0 x 10-9 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 4.9 x 10-9 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.4 x 10-8 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 8.3 x 10-8 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 2.8 x 10-7 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 4.9 x 10-9 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 687.74 | ||
| pka | 7.87 ± 0.43 | An luas is aigéid: 25 ° C. | (1) ACD |
| pka | 1.39 ± 0.10 | An luas is bunúsaí: 25 ° C. | (1) ACD |
.
Dlús
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Dlús | 1.32 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
| Toirt molar | 518.5 ± 7.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Bannaí rotatable faoi shaoirse | 12 | (1) ACD | |
| H Glacadóirí | 12 | (1) ACD | |
| Hontóirí H. | 2 | (1) ACD | |
| H suim deontóra/glacadóir | 14 | (1) ACD | |
| logáil | 7.344 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 687.74 |
.
A bhaineann le struchtúr
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Achar dromchla polar | 139 A2 | (1) ACD | |
.
Speictrim ar fáil
1H NMR
Speictrim ar fáil
13c NMR
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