C48h54O8P Adenosine, N-Benzoyl-5 '-Igisimba (4-Igikoresho (1' - 1 '- Indirimbo ya Metileyly n, N-BI). ACI)
Umubare wa kabiri
110782-31-5
H335, H331, H319, H315, H311, H311, H311 + H311, H301
| Imbaraga z'umubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 887.96 | - |
| PKA (byahanuwe) | 7.87 ± 0.43 | Acide menshi: 25 ° C. |
Inseko ya kanonical
N # CCCOP (OC1C (OC (N2C = NC = 3C (= NC32) NC (CC = CC = CC = CC = CC) C. C. C. C. C. C.
Isomenic kumwenyura
C (OC [C @@ H] 1 [C @@ (n (cc (cc (cc (cc = cc = cc3) (c5 = cc = C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Inchi
Inchi = 1s / c48h5444o8p / c1-32 (2) 55 (33 (31-49) 59-7 (42-49 (41) 54) 53-46 (5 6) 34-15-10-8-16-34) 29-60-48 (35-17-12-9-13-35-9-35,36-36) 2-20-36) 37-25-37 / H8-36.140.40-33 2-43,47h, 14,28-29h2,1-7h3, (h, 50,53.53,53.56) / T40-, 47-, 434? / M1 / S1
Inchi
Azcgonuypxhmj-psvhyzmasa-n
2 Andi mazina kuriyi ngingo
Adenosine,N-Benzoyl-5 '-O- [Bis (4-Uburyo bwa Ocfaxypyl) phenylmethyl] -2 '-O-Urubuga -, 3 '- 2-cyanoethyl Bis (1-methyyl) fosiphorage] (9Ci); 5 '-O- (4,4 '-DeteThoxytrityl) -N6-Benzoyl-2' -O-Methyladesosonine 3 '- (2-cyanoethyylN,N-diopropylphosphoshorashimite)
Spectra irahari
13 c nmr
Hetero nmr
Misa
Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere
| Umutungo | Agaciro | Imiterere | Isoko |
| BioConcentration | 4050 | ph 1; Temp: 25 ° C. | (1) acd |
| BioConcentration | 1.08 x 105 | ph 2; Temp: 25 ° C. | (1) acd |
| BioConcentration | 1.00 x 106 | ph 3; Temp: 25 ° C. | (1) acd |
| BioConcentration | 1.00 x 106 | ph 4; Temp: 25 ° C. | (1) acd |
| BioConcentration | 1.00 x 106 | ph 5; Temp: 25 ° C. | (1) acd |
| BioConcentration | 1.00 x 106 | pH 6; Temp: 25 ° C. | (1) acd |
| BioConcentration | 1.00 x 106 | pH 7; Temp: 25 ° C. | (1) acd |
| BioConcentration | 1.00 x 106 | ph 8; Temp: 25 ° C. | (1) acd |
| BioConcentration | 2.10 x 105 | ph 9; Temp: 25 ° C. | (1) acd |
| BioConcentration | 60800 | PH 10; Temp: 25 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
| Umutungo | Agaciro | Imiterere | Isoko |
| 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 |
| Umutungo | Agaciro | Imiterere | Isoko |
| 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 |
| Logd | 6.01 | ph 1; Temp: 25 ° C. | (1) acd |
| Logd | 7.43 | ph 2; Temp: 25 ° C. | (1) acd |
| Logd | 8.44 | ph 3; Temp: 25 ° C. | (1) acd |
| Logd | 8.93 | ph 4; Temp: 25 ° C. | (1) acd |
| Logd | 9.02 | ph 5; Temp: 25 ° C. | (1) acd |
| Logd | 9.02 | pH 6; Temp: 25 ° C. | (1) acd |
| Logd | 8.94 | pH 7; Temp: 25 ° C. | (1) acd |
| Logd | 8.51 | ph 8; Temp: 25 ° C. | (1) acd |
| Logd | 7.72 | ph 9; Temp: 25 ° C. | (1) acd |
| Logd | 7.18 | PH 10; Temp: 25 ° C. | (1) acd |
| LogP | 9.038 ± 0.723 | Temp: 25 ° C. | (1) acd |
| Misa yimbere | 1.4 x 10-5 g / l | Temp: 25 ° C. | (1) acd |
| Rusange | 0.014 g / l | ph 1; Temp: 25 ° C. | (1) acd |
| Rusange | 5.3 x 10-4 g / l | ph 2; Temp: 25 ° C. | (1) acd |
| Rusange | 5.3 x 10-5 g / l | ph 3; Temp: 25 ° C. | (1) acd |
| Rusange | 1.7 x 10-5 g / l | ph 4; Temp: 25 ° C. | (1) acd |
| Rusange | 1.3 X 10-5 G / L. | ph 5; Temp: 25 ° C. | (1) acd |
| Rusange | 1.3 X 10-5 G / L. | pH 6; Temp: 25 ° C. | (1) acd |
| Rusange | 1.7 x 10-5 g / l | pH 7; Temp: 25 ° C. | (1) acd |
| Rusange | 4.5 x 10-5 g / l | ph 8; Temp: 25 ° C. | (1) acd |
| Rusange | 2.8 x 10-4 g / l | ph 9; Temp: 25 ° C. | (1) acd |
| Rusange | 9.8 x 10-4 g / l | PH 10; Temp: 25 ° C. | (1) acd |
| Rusange | 1.7 x 10-5 g / l | Itanu y'amazi ya ph 6.99; Temp: 25 ° C. | (1) acd |
| Morlar Mainsic Lowelity | 1.6 x 10-8 mol / l | Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 1.6 x 10-5 Mol / l | ph 1; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 6.0 x 10-7 mol / l | ph 2; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 6.0 x 10-8 mol / l | ph 3; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 1.9 x 10-8 mol / l | ph 4; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 1.5 x 10-8 mol / l | ph 5; Temp: 25 ° C. | (1) acd |
| Umutungo | Agaciro | Imiterere | Isoko |
| Umuryango wawe | 1.5 x 10-8 mol / l | pH 6; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 1.9 x 10-8 mol / l | pH 7; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 5.1 x 10-8 mol / l | ph 8; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 3.1 x 10-7 mol / l | ph 9; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 1.1 x 10-6 mol / l | PH 10; Temp: 25 ° C. | (1) acd |
| Umuryango wawe | 1.9 x 10-8 mol / l | Itanu y'amazi ya ph 6.99; Temp: 25 ° C. | (1) acd |
| Uburemere bwa molekile | 887.96 | ||
| PKA | 7.87 ± 0.43 | Acide menshi: 25 ° C. | (1) acd |
| PKA | 3.45 ± 0.70 | Icyiciro cyibanze: 25 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
| Umutungo | Agaciro | Imiterere | Isoko |
| Ubusambanyi bwuzuye | 19 | (1) acd | |
| H yemera | 15 | (1) acd | |
| H | 1 | (1) acd | |
| H umuterankunga / kubyemera | 16 | (1) acd | |
| LogP | 9.038 ± 0.723 | Temp: 25 ° C. | (1) acd |
| Uburemere bwa molekile | 887.96 |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
| Umutungo | Agaciro | Inkomoko |
| Agace k'amashanyarazi | 178 A2 | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Spectra irahari
1 h nmr
13 c nmr
| Kode | Imvugo ya hazard | Isoko |
| H335 | Birashobora gutera uburakari | Impuguke |
| Kode | Imvugo ya hazard | Isoko |
| H331 | Uburozi iyo uhumetse | Impuguke |
| H319 | Itera uburakari bukomeye | Impuguke |
| H315 | Itera uburakari | Impuguke |
| H311 | Uburozi mu guhuza uruhu | Impuguke |
| H301 + H311 + H331 | Uburozi iyo bamizwe, guhura nuruhu cyangwa guhumeka | Impuguke |
| H301 | Uburozi iyo bamizwe | Impuguke |
