C38H37N3O8 nog nie toegeken nie
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 663.72 | - |
| Digtheid (voorspel) | 1,304 ± 0,06 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 8,27 ± 0,10 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (coc (c = 4c = cc = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = c = c6) c (o) c3
Isomeriese glimlagte
C (OC [C@H] 1O [C@H] (C [C @@ H] 1O) N2C = C (C (NCC3 = CC = CC = C3) = O) C (= O) NC2 = O) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = C 6
Duim
Inchi = 1s/c38h37n3o8/c1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-8-8-12-26,28-15-19-30 (47-2) 20-16-28) 48-24-33-32 (42) 21-34 (49-33) 4 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39-22-25-9-5-3-6-10-25/H3-20,23,32-34,42H, 21-22,24H2,1-2H3, (H, 39,43) (H, 40,44,45)/T32-
, 33+, 34+/m0/s1
Inchi -sleutel
Nzbgrvlzispurb-lbfzijhgsa-n
| Eiendom beskikbaar |
| Biologies |
| Eiendom beskikbaar |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 5250 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 5250 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 5260 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 5260 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 5250 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 5200 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 4720 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2460 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 466 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 96.9 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| KOC | 16000 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 15800 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 14400 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 7510 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 1420 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 296 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | Ph 3; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logd | 5.20 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 5.19 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 5.15 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 4.87 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 4.15 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 3.46 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 5.198 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 9.3 x 10-6 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9.3 x 10-6 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9.3 x 10-6 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9.3 x 10-6 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9.3 x 10-6 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9.3 x 10-6 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9.3 x 10-6 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,1 x 10-5 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,0 x 10-5 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,1 x 10-4 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.1 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,1 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1,4 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-8 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-8 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-8 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-8 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-8 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-8 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-8 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3.0 x 10-8 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-7 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7,7 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molekulêre gewig | 663.72 | ||
| pka | 8,27 ± 0,10 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | -1,66 ± 0,20 | Die meeste basiese temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,304 ± 0,06 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 508,6 ± 3,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 13 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H -donateurs | 3 | (1) ACD | |
| H Skenker/Acceptor Sum | 14 | (1) ACD | |
| logp | 5.198 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 663.72 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 136 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
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