C31h32n2n2o8, 5'-o- [BIS (4-Metoxyphenil) Phenylmontletl) -2'- (9c i, aci)
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 560.60 | - |
| Kapadetan (diprediksi) | 1.35 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
| Pair (diprediksi) | 9.39 ± 0,10 | TEMP anu paling asam: 25 ° C |
Kanonical imut o = c1c = cn (c (= o) n1) c2C (CO (CH = CC = CC = c
Isomeerer c (OC [C @ H] 1o [C @ H] ([C @ H] (C2)
Atchi
Inchi = 1s / c31h32n2n2n2o8 / c1-37-23-13-9-21 (10-138) 31 (20-75-12-25 (388 (488 (388 (482-15) 28 (488
33-18-17-26 (34) 32-30 (33) 36 / H4-18,25,25,25,25,35-
Konci inci
Mfdhavffcccccccccccccccccccnsa-n
2 ngaran séjén pikeun zat ieu
5'-o- [BIS (4-Metroxyphenylesyl 5'-O- (4.4'-dimyloxtransl) -2'-o-methylurin
Spéktra sayogi
1h nmr
Nimbulkeun massa
| Sipat sayogi |
| Biologis |
| Kimia |
| Perténaran |
| Lipinski |
| Struktur patali |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 1240 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1240 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1240 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1240 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1240 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1240 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1230 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1190 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 861 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 238 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Kimia
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 5690 | pH 1; Temp: 25 ° C | (1) ACD |
| Kub | 5690 | pH 2; Temp: 25 ° C | (1) ACD |
| Kub | 5690 | pH 3; Temp: 25 ° C | (1) ACD |
| Kub | 5690 | pH 4; Temp: 25 ° C | (1) ACD |
| Kub | 5690 | pH 5; Temp: 25 ° C | (1) ACD |
| Kub | 5690 | pH 6; Temp: 25 ° C | (1) ACD |
| Kub | 5670 | pH 7; Temp: 25 ° C | (1) ACD |
| Kub | 5450 | pH 8; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 3960 | pH 9; Temp: 25 ° C | (1) ACD |
| Kub | 1100 | pH 10; Temp: 25 ° C | (1) ACD |
| log As | 4.37 | pH 1; Temp: 25 ° C | (1) ACD |
| log As | 4.37 | pH 2; Temp: 25 ° C | (1) ACD |
| log As | 4.37 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 4.37 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 4.37 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 4.37 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 4.37 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 4.35 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 4.21 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 3.66 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.372 ± 0.582 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 3.7 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.8 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 5.3 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,9 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.7 x 10-4 g / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 6,6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,8 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 9.4 x 10-7 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.4 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 560.60 | ||
| Pka | 9.39 ± 0,10 | TEMP anu paling asam: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Perténaran
| Harta | Nilai | Kaayaan | Sumber |
| Perténaran | 1.35 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
| Masar | 412.9 ± 5.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Lipinski
| Harta | Nilai | Kaayaan | Sumber |
| Beungkeut bébas rotét | 11 | (1) ACD | |
| H panarima | 10 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H donor / panarima | 12 | (1) ACD | |
| logp | 4.372 ± 0.582 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 560.60 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Daérah permukaan polar | 116 A2 | (1) ACD | |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
