C48H54N7O8P Adenosine, N-benzoyl-5 ′ -O- (ACI)
Numero ya CAS
110782-31-5
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 887.96 | - |
| pKa (Byahanuwe) | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
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 = CC = C (OC) C = C7) N (C (C) C) C (C) C
Isomeric SMILES
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 = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
InChI
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)) 54-31-52-41-44 (50-30-51-45 (41) 54) 53-46 (5 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 -13,15-26,30-33,40,4 2-43,47H, 14,28-29H2,1-7H3, (H, 50,51,53,56) / t40-, 42-, 43- , 47-, 64? / M1 / s1
InChI Urufunguzo
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 Andi mazina kuriyi ngingo
Adenosine,N-benzoyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI);5 ′ -O- (4,4 ′ -dimethoxytrityl) -N6-benzoyl-2 ′ -O-methyladenosine 3 ′ - (2-cyanoethylN,N-diisopropylphosphoramidite)
Spectra irahari
13 C NMR
Hetero NMR
Misa
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 4050 | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.08 x 105 | 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 | 2.10 x 105 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 60800 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
.
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 1830 | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 48700 | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 4.91 x 105 | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.52 x 106 | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.90 x 106 | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.91 x 106 | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.57 x 106 | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 5.78 x 105 | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 95000 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 27500 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.01 | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.43 | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.44 | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.93 | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 9.02 | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 9.02 | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.94 | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 8.51 | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.72 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.18 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 9.038 ± 0.723 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 1.4 x 10-5 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.014 g / L. | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.3 x 10-4 g / L. | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 5.3 x 10-5 g / L. | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.7 x 10-5 g / L. | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-5 g / L. | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-5 g / L. | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.7 x 10-5 g / L. | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 4.5 x 10-5 g / L. | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.8 x 10-4 g / L. | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 9.8 x 10-4 g / L. | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.7 x 10-5 g / L. | Amazi adafite ingufu pH 6.99;Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 1.6 x 10-8 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.6 x 10-5 mol / L. | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.0 x 10-7 mol / L. | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.0 x 10-8 mol / L. | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.9 x 10-8 mol / L. | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-8 mol / L. | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 1.5 x 10-8 mol / L. | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.9 x 10-8 mol / L. | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 5.1 x 10-8 mol / L. | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.1 x 10-7 mol / L. | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-6 mol / L. | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.9 x 10-8 mol / L. | Amazi adafite ingufu pH 6.99;Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 887.96 | ||
| pKa | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 3.45 ± 0.70 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 19 | (1) ACD | |
| H Abakira | 15 | (1) ACD | |
| H Abaterankunga | 1 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 16 | (1) ACD | |
| logP | 9.038 ± 0.723 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 887.96 |
.
| Umutungo | Agaciro | Inkomoko |
| Ubuso bwa polarike | 178 A2 | (1) ACD |
.
Spectra irahari
1 H NMR
13 C NMR
| Kode | Amagambo ya Hazard | Inkomoko |
| H335 | Birashobora gutera uburakari | Impuguke Yatunganijwe |
| Kode | Amagambo ya Hazard | Inkomoko |
| H331 | Uburozi niba buhumeka | Impuguke Yatunganijwe |
| H319 | Bitera uburakari bukabije bw'amaso | Impuguke Yatunganijwe |
| H315 | Bitera kurwara uruhu | Impuguke Yatunganijwe |
| H311 | Uburozi buhuye nuruhu | Impuguke Yatunganijwe |
| H301 + H311 + H331 | Uburozi iyo bumize, uhuye nuruhu cyangwa rwumuhumekero | Impuguke Yatunganijwe |
| H301 | Uburozi niba bumize | Impuguke Yatunganijwe |
![C31H30N2O7 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2 - [[bis , 9a-tetrahydro-3-hydroxy-7- methyl-, (2R, 3R, 3aS, 9aR) - (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
![C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2 - [(9H-fluoren-9-ylmethoxy) karubone] - (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![C45H56N7O9P Guanosine, 5 ′ -O- (1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C17H19N3O6 Thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C47H51FN7O7P Adenosine, N-benzoyl-5 ′ -O- fosifore amidite] (ACI)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)