C42H39N3O8 še ni dodeljen
| Ključne fizikalne lastnosti | Vrednost | Stanje |
| Molekularna teža | 713.78 | - |
| Gostota (napovedano) | 1,315 ± 0,06 g/cm3 | Temp: 20 ° C; Pritisnite: 760 Torr |
| PKA (napovedano) | 8,23 ± 0,10 | Najbolj kisla temp: 25 ° C |
Kanonični nasmehi o = c1nc (= o) n (c = c1c (= o) ncc2 = cc = cc = 3c = cc = cc32) c4oc (coc (c = 5c = cc5) (c6 = cc = c (oc) c = c6) c7 = cc = c (oc) c (o) c4
Izomerni nasmehi
C (OC [C@H] 1O [C@H] (C [C @@ H] 1O) N2C = C (C (C (NCC = 3C4 = C (C = CC3) C = CC = C4) = O) C (= O) NC2 = O) (C5 = Cc = C (OC) C = C6 = CC = C (C6) CC = C6 = C (OC)
Inchi
Inchi = 1S/C42H39N3O8/C1-50-32-19-15-30 (16-20-32) 42 (29-12-4-3-5-13-29,31-17-33 (51-2) 22-18-31) 52-26-37-36 (46) 23-38 (53-37) 23-3 5-25-35 (40 (48) 44-41 (45) 49) 39 (47) 43-24-28-11-8-10-27-9-6-6-7-14-34 (27) 28/H3-22,25,36-38-38-38,46h, 23-24,26H2,1-2h3 (H, 44,48,49)/T36-, 37+, 38+/m0/s1
KLJUČ INCHI
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Na voljo so lastnosti |
| Biološko |
| Na voljo so lastnosti |
| Kemična |
| Gostota |
| Lipinski |
| Povezana struktura |
Biološko
| Lastnina | Vrednost | Stanje | Vir |
| Faktor biokoncentracije | 41700 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 41700 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 41700 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 41700 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 41700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 41200 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 36900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 18100 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 3290 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokoncentracije | 718 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemična
| Lastnina | Vrednost | Stanje | Vir |
| 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 |
| dnevnik | 6.38 | pH 1; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.38 | pH 2; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.38 | pH 3; Temp: 25 ° C. | (1) ACD |
| Lastnina | Vrednost | Stanje | Vir |
| dnevnik | 6.38 | pH 4; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.38 | pH 5; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.38 | pH 6; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.33 | pH 7; Temp: 25 ° C. | (1) ACD |
| dnevnik | 6.02 | pH 8; Temp: 25 ° C. | (1) ACD |
| dnevnik | 5.28 | pH 9; Temp: 25 ° C. | (1) ACD |
| dnevnik | 4.62 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.382 ± 0,644 | Temp: 25 ° C. | (1) ACD |
| Masna intrinzična topnost | 5.1 x 10-7 g/l | Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5.1 x 10-7 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5.1 x 10-7 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5.1 x 10-7 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5.1 x 10-7 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5.1 x 10-7 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5.1 x 10-7 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5,7 x 10-7 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 1,1 x 10-6 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 6,4 x 10-6 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 2,9 x 10-5 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masna topnost | 5,7 x 10-7 g/l | Unbuffered Water pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molarna intrinzična topnost | 7.1 x 10-10 mol/l | Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 7.1 x 10-10 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 7.1 x 10-10 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 7.1 x 10-10 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 7.1 x 10-10 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 7.1 x 10-10 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 7,2 x 10-10 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 8,0 x 10-10 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 1,6 x 10-9 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 9,0 x 10-9 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 4,1 x 10-8 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molarna topnost | 8,0 x 10-10 mol/l | Unbuffered Water pH 7,00; Temp: 25 ° C. | (1) ACD |
| Lastnina | Vrednost | Stanje | Vir |
| Molekularna teža | 713.78 | ||
| PKA | 8,23 ± 0,10 | Najbolj kisla temp: 25 ° C | (1) ACD |
| PKA | -1,90 ± 0,20 | Najosnovnejša temp: 25 ° C | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Gostota
| Lastnina | Vrednost | Stanje | Vir |
| Gostota | 1,315 ± 0,06 g/cm3 | Temp: 20 ° C; Pritisnite: 760 Torr | (1) ACD |
| Molarni volumen | 542,7 ± 3,0 cm3/mol | Temp: 20 ° C; Pritisnite: 760 Torr | (1) ACD |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Lastnina | Vrednost | Stanje | Vir |
| Prosto vrtljive vezi | 13 | (1) ACD | |
| H sprejemniki | 11 | (1) ACD | |
| H donatorji | 3 | (1) ACD | |
| H vsota darovalca/sprejemnika | 14 | (1) ACD | |
| logp | 6.382 ± 0,644 | Temp: 25 ° C. | (1) ACD |
| Molekularna teža | 713.78 |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Povezana struktura
| Lastnina | Vrednost | Stanje | Vir |
| Polarna površina | 136 A2 | (1) ACD | |
(1) Izračunano z uporabo napredne programske opreme za razvoj kemije (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Na voljo so spektri
1H NMR
13C NMR
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