C42h39n3o8 oraindik ez da esleitu
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 713,78 | - |
| Dentsitatea (aurreikusitakoa) | 1.315 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
| pka (aurreikusita) | 8,23 ± 0,10 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak O = c1nc (= o) ncc2 = cc = cc = 3c = cc = cc32) c4oc (cc (cc = cc = cc5) (c6 = cc = cc) c = c6) c7 = cc = c (oc) c (o) c4
Irribarre isomerikoak
C (oc [c @ h] 1o [c @ h] (c @ c (c (cc = 3C4 = c (c = ccc = 3C4 = c (c = cc3) c = c = cc = c (cc) c = c5) (c6 = cc = c) c = c6) c 7 = cc = cc = c7
Inchi
Inchi = 1s / c42h39n3o8 / c1-50-32-19-15-30 (16-20-32) 42 (29-12-4-3-3-29-29,31-31-31) 22-18-31) 52-26-37-36 (46) 23-38 (53-37) 4 5-25-35 (40 (48) 44-41 (48) 49) 39 (47) 43-24-28-11-8-10-27-9-6-7-14-34 (27) 28/26-22,25,36-36h2,1-2h3, (H, 43,47) (H, 44,48,49) / t36-, 37 +, 38 + / m0 / s1
Inchi gakoa
Hdumrqqryjobfs-yxwiycfasa-n
| Ezaugarriak eskuragarri |
| Biologiko |
| Ezaugarriak eskuragarri |
| Gai kimiko |
| Dentsitate |
| Lipinski |
| Egitura erlazionatua |
Biologiko
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 41700 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 41700 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 41700 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 41700 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 41700 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 41200 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 36900 | PH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 18100 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 3290 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 718 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Gai kimiko
| Jabetasun | Balio | Baldintza | Iturri |
| 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 |
| sintika | 6,38 | pH 1; Temp: 25 ° C | (1) ACD |
| sintika | 6,38 | PH 2; Temp: 25 ° C | (1) ACD |
| sintika | 6,38 | pH 3; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| sintika | 6,38 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 6,38 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 6,38 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 6,33 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 6,10 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | 528 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | 4,62 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 6.382 ± 0,644 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 5.1 x 10-7 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.1 x 10-7 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.1 x 10-7 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.1 x 10-7 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.1 x 10-7 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.1 x 10-7 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.1 x 10-7 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,7 x 10-7 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1.1 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 6,4 x 10-6 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 2,9 x 10-5 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,7 x 10-7 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 7.1 x 10-10 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7.1 x 10-10 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7.1 x 10-10 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7.1 x 10-10 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7.1 x 10-10 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7.1 x 10-10 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7.2 x 10-10 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 8,0 x 10-10 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 9,0 x 10-9 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 4.1 x 10-8 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 8,0 x 10-10 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Pisu molekularra | 713,78 | ||
| pka | 8,23 ± 0,10 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | -1,90 ± 0,20 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Dentsitate
| Jabetasun | Balio | Baldintza | Iturri |
| Dentsitate | 1.315 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
| Bolumen molarra | 542,7 ± 3.0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Lipinski
| Jabetasun | Balio | Baldintza | Iturri |
| Lotura libreki birakariak | 13 | (1) ACD | |
| H Onartzaileak | 11 | (1) ACD | |
| H Emaileak | 3 | (1) ACD | |
| H emaile / onartzaileen batura | 14 | (1) ACD | |
| logpp | 6.382 ± 0,644 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 713,78 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Azalera polarra | 136 A2 | (1) ACD | |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1h nmr
13C NMR
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