C42h39n3o8 ekki enn úthlutað
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 713.78 | - |
| Þéttleiki (spáð) | 1.315 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 8,23 ± 0,10 | Sýrtasta temp: 25 ° C |
Canonical bros O = C1NC (= O) N (C = C1C (= O) NCC2 = CC = CC = 3C = CC = CC32) C4OC (COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (OC) C = C7) C (O) C4
Isomicer bros
C (OC [C@H] 1O [C@H] (C [C @@ H] 1O) N2C = C (C (NCC = 3C4 = C (C = CC3) C = CC = C4) = O) C (= O) NC2 = O) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C 7 = CC = CC = CC = C = C = C = C (OC) C = C6) C 7 = CC = CC = C = C = C = C = C (CC = C = C6) C 7 = C.
Tommur
Inchi = 1s/C42H39N3O8/C1-50-32-19-15-30 (16-20-32) 42 (29-12-4-3-5-13-29,31-17-21-33 (51-2) 22-18-31) 52-26-37-36 (46) 23-38 (53-37) 4 5-25-35 (40 (48) 44-41 (45) 49) 39 (47) 43-24-28-11-8-10-27-9-6-7-14-34 (27) 28/H3-22,25,36-38,46H, 23-24,26H2,1-2H3, (H, 43,47) (H, 44,48,49)/T36-, 37+, 38+/m0/S1
Inchi lykill
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Eignir í boði |
| Líffræðileg |
| Eignir í boði |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 41700 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 41700 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 41700 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 41700 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 41700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 41200 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 36900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 18100 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 3290 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 718 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
| Eign | Gildi | Ástand | Uppspretta |
| KOC | 70600 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 70600 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 70600 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 70600 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 70500 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 69700 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 62400 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 30600 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 5560 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1210 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 6.38 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 6.38 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 6.38 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| logd | 6.38 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.38 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.38 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.02 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 5.28 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.62 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.382 ± 0,644 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 5,1 x 10-7 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,1 x 10-7 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,1 x 10-7 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,1 x 10-7 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,1 x 10-7 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,1 x 10-7 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,1 x 10-7 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,7 x 10-7 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,1 x 10-6 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 6,4 x 10-6 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,9 x 10-5 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,7 x 10-7 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 7,1 x 10-10 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,1 x 10-10 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,1 x 10-10 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,1 x 10-10 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,1 x 10-10 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,1 x 10-10 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,2 x 10-10 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 8,0 x 10-10 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,6 x 10-9 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 9,0 x 10-9 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,1 x 10-8 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 8,0 x 10-10 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Mólmassa | 713.78 | ||
| PKA | 8,23 ± 0,10 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | -1,90 ± 0,20 | Grundvöllurinn: 25 ° C | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Þéttleiki
| Eign | Gildi | Ástand | Uppspretta |
| Þéttleiki | 1.315 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 542,7 ± 3,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 13 | (1) ACD | |
| H samþykki | 11 | (1) ACD | |
| H styrktaraðilar | 3 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 14 | (1) ACD | |
| logp | 6.382 ± 0,644 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 713.78 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 136 A2 | (1) ACD | |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1H NMR
13c nmr
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