C36h39N5O8 Guanasine, 5'-O- (Bis (4-uburyo bwo buryo) phenylmethyl] -2'-methyl- 1ci, ACI)
Imbaraga z'umubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 669.72 | - |
Ubucucike (bwahanuwe) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Kanda: 760 Torr |
PKA (byahanuwe) | 9.16 ± 0.20 | Acide menshi: 25 ° C. |
Canonical amwenyura o = c1n = c (nc (= o) c (cc) cc = cc = cc = cc = cc = cc) c (o) c3oc
Isomenic kumwenyura
C
= Cc = c6
Inchi
Inchi = 1s / c36h394O8 / C1-21 (2) 32 (43-38 (44-35 (44-35) 29 (498-36 (22-9-6-9-10 2,23-15-25 (45-3) 16-12-27) 24-13-17-26 (46-4-24 / H6-42h, 19h38.4,43.43.43,44) / T20,44) / T20) / T20) / T20) / T20) / T20) / T20
- / m1 / s1
Inchi
ISQLJOGMRUQHJX-WifiacMtse-n
1 irindi zina ryibi bintu
5'-O- [Bis (4-Uburyo bwa Ithenyoyl) PhenyLmethyl] -2'-O-methyl-n- methyl-1-oxopropyl) Guanasine (ACI)
Ibyiza birahari |
Ibinyabuzima |
Imiti |
Ubucucike |
Lipinski |
Imiterere |
Ibinyabuzima
Umutungo | Agaciro | Imiterere | Isoko |
BioConcentration | 797 | ph 1; Temp: 25 ° C. | (1) acd |
BioConcentration | 2030 | ph 2; Temp: 25 ° C. | (1) acd |
BioConcentration | 2400 | ph 3; Temp: 25 ° C. | (1) acd |
BioConcentration | 2450 | ph 4; Temp: 25 ° C. | (1) acd |
BioConcentration | 2450 | ph 5; Temp: 25 ° C. | (1) acd |
BioConcentration | 2450 | pH 6; Temp: 25 ° C. | (1) acd |
BioConcentration | 2420 | pH 7; Temp: 25 ° C. | (1) acd |
BioConcentration | 2170 | ph 8; Temp: 25 ° C. | (1) acd |
BioConcentration | 1070 | pH 9; Temp: 25 ° C. | (1) acd |
BioConcentration | 195 | PH 10; Temp: 25 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Imiti
Umutungo | Agaciro | Imiterere | Isoko |
Koc | 3020 | ph 1; Temp: 25 ° C. | (1) acd |
Koc | 7680 | ph 2; Temp: 25 ° C. | (1) acd |
Koc | 9100 | ph 3; Temp: 25 ° C. | (1) acd |
Koc | 9270 | ph 4; Temp: 25 ° C. | (1) acd |
Koc | 9290 | ph 5; Temp: 25 ° C. | (1) acd |
Koc | 9280 | pH 6; Temp: 25 ° C. | (1) acd |
Koc | 9170 | pH 7; Temp: 25 ° C. | (1) acd |
Koc | 8220 | ph 8; Temp: 25 ° C. | (1) acd |
Koc | 4050 | pH 9; Temp: 25 ° C. | (1) acd |
Koc | 737 | PH 10; Temp: 25 ° C. | (1) acd |
Logd | 4.27 | ph 1; Temp: 25 ° C. | (1) acd |
Logd | 4.68 | ph 2; Temp: 25 ° C. | (1) acd |
Umutungo | Agaciro | Imiterere | Isoko |
Logd | 4.75 | ph 3; Temp: 25 ° C. | (1) acd |
Logd | 4.76 | ph 4; Temp: 25 ° C. | (1) acd |
Logd | 4.76 | ph 5; Temp: 25 ° C. | (1) acd |
Logd | 4.76 | pH 6; Temp: 25 ° C. | (1) acd |
Logd | 4.76 | pH 7; Temp: 25 ° C. | (1) acd |
Logd | 4.71 | ph 8; Temp: 25 ° C. | (1) acd |
Logd | 4.40 | pH 9; Temp: 25 ° C. | (1) acd |
Logd | 3.66 | PH 10; Temp: 25 ° C. | (1) acd |
LogP | 4.763 ± 0.722 | Temp: 25 ° C. | (1) acd |
Misa yimbere | 3.1 x 10-4 g / l | Temp: 25 ° C. | (1) acd |
Rusange | 9.4 x 10-4 g / l | ph 1; Temp: 25 ° C. | (1) acd |
Rusange | 3.7 x 10-4 g / l | ph 2; Temp: 25 ° C. | (1) acd |
Rusange | 3.1 x 10-4 g / l | ph 3; Temp: 25 ° C. | (1) acd |
Rusange | 3.1 x 10-4 g / l | ph 4; Temp: 25 ° C. | (1) acd |
Rusange | 3.1 x 10-4 g / l | ph 5; Temp: 25 ° C. | (1) acd |
Rusange | 3.1 x 10-4 g / l | pH 6; Temp: 25 ° C. | (1) acd |
Rusange | 3.1 x 10-4 g / l | pH 7; Temp: 25 ° C. | (1) acd |
Rusange | 3.5 x 10-4 g / l | ph 8; Temp: 25 ° C. | (1) acd |
Rusange | 7.4 x 10-4 g / l | pH 9; Temp: 25 ° C. | (1) acd |
Rusange | 3.9 x 10-3 G / L. | PH 10; Temp: 25 ° C. | (1) acd |
Rusange | 3.1 x 10-4 g / l | Itanu y'amazi ya ph 6.99; Temp: 25 ° C. | (1) acd |
Morlar Mainsic Lowelity | 4.6 x 10-7 mol / l | Temp: 25 ° C. | (1) acd |
Umuryango wawe | 1.4 x 10-6 mol / l | ph 1; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 5.5 x 10-7 mol / l | ph 2; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 4.7 x 10-7 Mol / l | ph 3; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 4.6 x 10-7 mol / l | ph 4; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 4.6 x 10-7 mol / l | ph 5; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 4.6 x 10-7 mol / l | pH 6; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 4.6 x 10-7 mol / l | pH 7; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 5.2 x 10-7 mol / l | ph 8; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 1.1 x 10-6 mol / l | pH 9; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 5.8 x 10-6 Mol / l | PH 10; Temp: 25 ° C. | (1) acd |
Umutungo | Agaciro | Imiterere | Isoko |
Umuryango wawe | 4.6 x 10-7 mol / l | Itanu y'amazi ya ph 6.99; Temp: 25 ° C. | (1) acd |
Uburemere bwa molekile | 669.72 | ||
PKA | 9.16 ± 0.20 | Acide menshi: 25 ° C. | (1) acd |
PKA | 1.73 ± 0.10 | Icyiciro cyibanze: 25 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Ubucucike
Umutungo | Agaciro | Imiterere | Isoko |
Ubucucike | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Kanda: 760 Torr | (1) acd |
Umubumbe | 494.4 ± 7.0 cm3 / mol | Temp: 20 ° C; Kanda: 760 Torr | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Lipinski
Umutungo | Agaciro | Imiterere | Isoko |
Ubusambanyi bwuzuye | 12 | (1) acd | |
H yemera | 13 | (1) acd | |
H | 3 | (1) acd | |
H umuterankunga / kubyemera | 16 | (1) acd | |
LogP | 4.763 ± 0.722 | Temp: 25 ° C. | (1) acd |
Uburemere bwa molekile | 669.72 |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Imiterere
Umutungo | Agaciro | Imiterere | Isoko |
Agace k'amashanyarazi | 155 A2 | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Spectra irahari
1h nmr
13c nmr