C41H39NO6 1-PyrrolidinecarboxyyUrika
Imbaraga z'umubiri | Agaciro | Imiterere |
Uburemere bwa molekile | 641.75 | - |
Ingingo itetse (Yahanuwe) | 768.7 ± 60.0 ° C. | Kanda: 760 Torr |
Ubucucike (bwahanuwe) | 1.237 ± 0.06 G / CM3 | Temp: 20 ° C; Kanda: 760 Torr |
PKA (byahanuwe) | 14.50 ± 0.40 | Acide menshi: 25 ° C. |
Canonical amwenyura o = c (cct1c = 2c = CC2C = 3C = CC3) (CC = CC = CC = CC = C. C7
Isomeric SMILES C(OC[C@H]1N(C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C[C@H](O)C1)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Inchi
Inchi = 1s / c41h39No6 / C1-45-33-20-16-33 (17-21-4-35-13 (46-24) 23-19-30) 48-16-34 (31-42 (31-42 (31-42 (31-42 (31-42 (31-42 (31) 44) 47-27-39-37-14-8-6-12-35 (37) 36-13-7-9-15-38 (36) 39 / H39,3,43h, 1,1h3 / T31 / M0 / S1
Inchi
Qpxskgjqebdwes-ajqtzopksa-n
2 Andi mazina kuriyi ngingo
1-PyrrolidinecarboxyyyUrily Hown, 2 - [[Bis (4-Uburyo bwa Ithineypyl) -4-Hydroxy- 9h-Fluoren-9S-Trans); (zci); 9h-fluoren-9-ylmethyl (2s, 4r) -2 - [Ibisinzira 4) -4-hydroxyl) -4-hyrroxy-1-pyrroxxinecarboxylate (aside)
Ibyiza birahari |
Ibinyabuzima |
Imiti |
Ubucucike |
Lipinski |
Imiterere |
Ubushyuhe |
Ibinyabuzima
Umutungo | Agaciro | Imiterere | Isoko |
BioConcentration | 1.00 x 106 | ph 1; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.00 x 106 | 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 | 1.00 x 106 | pH 9; Temp: 25 ° C. | (1) acd |
BioConcentration | 1.00 x 106 | 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 | 7.70 x 105 | ph 1; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | ph 2; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | ph 3; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | ph 4; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | ph 5; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | pH 6; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | pH 7; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | ph 8; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | pH 9; Temp: 25 ° C. | (1) acd |
Koc | 7.70 x 105 | PH 10; Temp: 25 ° C. | (1) acd |
Umutungo | Agaciro | Imiterere | Isoko |
Logd | 8.29 | ph 1; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | ph 2; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | ph 3; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | ph 4; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | ph 5; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | pH 6; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | pH 7; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | ph 8; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | pH 9; Temp: 25 ° C. | (1) acd |
Logd | 8.29 | PH 10; Temp: 25 ° C. | (1) acd |
LogP | 8.289 ± 0.729 | Temp: 25 ° C. | (1) acd |
Misa yimbere | 4.7 x 10-6 G / L. | Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | ph 1; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | ph 2; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | ph 3; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | ph 4; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | ph 5; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | pH 6; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | pH 7; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | ph 8; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | pH 9; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | PH 10; Temp: 25 ° C. | (1) acd |
Rusange | 4.7 x 10-6 G / L. | Amazi atagenzuwe PH 7.00; Temp: 25 ° C. | (1) acd |
Morlar Mainsic Lowelity | 7.3 x 10-9 Mol / l | Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | ph 1; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | ph 2; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | ph 3; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | ph 4; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | ph 5; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | pH 6; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | pH 7; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | ph 8; Temp: 25 ° C. | (1) acd |
Umutungo | Agaciro | Imiterere | Isoko |
Umuryango wawe | 7.3 x 10-9 Mol / l | pH 9; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | PH 10; Temp: 25 ° C. | (1) acd |
Umuryango wawe | 7.3 x 10-9 Mol / l | Amazi atagenzuwe PH 7.00; Temp: 25 ° C. | (1) acd |
Uburemere bwa molekile | 641.75 | ||
PKA | 14.50 ± 0.40 | Acide menshi: 25 ° C. | (1) acd |
PKA | -3.24 ± 0.60 | Icyiciro cyibanze: 25 ° C. | (1) acd |
Umuvuduko ukabije | 7.42 x 10-25 Torr | Temp: 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 | 1.237 ± 0.06 G / CM3 | Temp: 20 ° C; Kanda: 760 Torr | (1) acd |
Umubumbe | 518.4 ± 3.0 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 | 7 | (1) acd | |
H | 1 | (1) acd | |
H umuterankunga / kubyemera | 8 | (1) acd | |
LogP | 8.289 ± 0.729 | Temp: 25 ° C. | (1) acd |
Uburemere bwa molekile | 641.75 |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Imiterere
Umutungo | Agaciro | Imiterere | Isoko |
Agace k'amashanyarazi | 77.5 A2 | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Ubushyuhe
Umutungo | Agaciro | Imiterere | Isoko |
Ingingo itetse | 768.7 ± 60.0 ° C. | Kanda: 760 Torr | (1) acd |
Enthalp ya Vaporisation | 117.42 ± 3.0 kj / mol | Kanda: 760 Torr | (1) acd |
Flash point | 418.7 ± 32.9 ° C. | (1) acd |
(1) kubarwa ukoresheje iterambere rya chimie ihamye (acd / laboratwari) software v11.02 (© 1994-2023 acd
Spectra irahari
1h nmr
13c nmr