![C44H49N5O7Si Adenosine, N-benzoyl-5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] -2′- O -](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
C44H49N5O7Si Adenosine, N-benzoyl-5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] -2′- O -
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 787.98 | - |
| Ubucucike (Biteganijwe) | 1.23 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
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) C3O [Si] (C) (C) C (C) (C) C) C = 7C = CC = CC7
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] ([C @ H] (O [Si] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C = 3C (N = C2) = C (N. C (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
InChI
InChI = 1S / C44H49N5O7Si / c1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-36-39 (45-27- 46-40 (36) 49) 48-41 (51) 29-14-10-8-11-15-2 9) 26-54-44 (30-16-12-9-13-17-30,31-18-22-33 (52-4) 23-19-31) 32-20-24-34 (53- 5) 25-21-32 / h8-25,27-28,35,37-38,42,50H, 26H2,1-7H3, (H,
45,46,48,51) / t35-, 37-, 38-, 42- / m1 / s1
InChI Urufunguzo
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Andi mazina kuriyi ngingo
N-Benzoyl-5′-O- [bis (4-mikorerexyphenyl) fenylmethyl] -2′-O - N6-Benzoyl-5′-O- (4,4′- dimethoxytrityl) -2′-O- (tert-butyldimethylsilyl) adenosine
Spectra irahari
1H NMR
Hetero NMR
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.00 x 106 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 5.41 x 105 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 2.01 x 106 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 6.87 x 106 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 9.08 x 106 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 9.38 x 106 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 9.39 x 106 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 9.19 x 106 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 7.53 x 106 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 2.73 x 106 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 4.48 x 105 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.31 x 105 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 9.62 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 10.15 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 10.27 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 10.29 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 10.29 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 10.28 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 10.19 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 9.75 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.97 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.43 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 10.291 ± 0.708 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 1.1 x 10-6 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.8 x 10-6 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.4 x 10-6 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.1 x 10-6 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.0 x 10-6 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.0 x 10-6 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.0 x 10-6 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-6 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.5 x 10-6 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.2 x 10-5 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 7.6 x 10-5 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-6 g / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 1.4 x 10-9 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.1 x 10-9 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.8 x 10-9 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.4 x 10-9 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.3 x 10-9 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.3 x 10-9 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 1.3 x 10-9 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.6 x 10-9 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.5 x 10-9 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.8 x 10-8 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 9.6 x 10-8 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.6 x 10-9 mol / L. | Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 787.98 | ||
| pKa | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 1.39 ± 0.10 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.23 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 639.5 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 14 | (1) ACD | |
| H Abakira | 12 | (1) ACD | |
| H Abaterankunga | 2 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 14 | (1) ACD | |
| logP | 10.291 ± 0.708 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 787.98 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 139 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
13C NMR
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