C42h39n3o8 durung ditugasake
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 713.78 | - |
| Kapadhetan (diprediksi) | 1.315 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 8.23 ± 0.10 | Temp paling asam: 25 ° C |
Mesem canonical o = c1nc (= o) n (c = c1c (= o) ncc2 = cc = c7 = c6 = c6 = c6 = c7 = c7) c4 c7 (o) c7) c4
Mesem isomerat
C (OC [C @ H] 1O [C @ C5 = C4) C5 (oc) C4 (oc) c (oc) c (oc) c (oc) c = c6) c7 (c6 = c6) c7
INCI
Kopi = 1s / c42h39n3o8 / c1-50-32-19-15-30 (16-20-52) 41-13-2-3-31-17-21-33 (46) 23-38 (53-3) 4 5-25-35 (40 (48) 44-41 (45) 49 (47) 43-24-28-11-9-6-7-14-34 (27) 28/24,26H2,1-2h3, (H, 43,47) (H, 44,48,49) / t36-, 37 +, 38 + / m0 / s1
Kunci inci
HDUMRQQRYJOBFS-YXWiyCFasa-N
| Properties kasedhiya |
| Biologis |
| Properties kasedhiya |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 41700 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 41700 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 41700 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 41700 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 41700 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 41200 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 36900 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 18100 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 3290 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 718 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kimia
| Properti | Regane | Kondisi | Sumber |
| 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 |
| Properti | Regane | Kondisi | Sumber |
| 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 |
| Kelarutan Kelainan Intrinsik Massa | 5.1 x 10-7 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.1 x 10-7 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.1 x 10-7 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.1 x 10-7 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.1 x 10-7 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.1 x 10-7 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.1 x 10-7 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.7 x 10-7 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.1 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 6.4 x 10-6 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.9 x 10-5 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.7 x 10-7 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 7.1 x 10-10 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.1 x 10-10 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.1 x 10-10 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.1 x 10-10 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.1 x 10-10 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.1 x 10-10 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.2 x 10-10 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 8.0 x 10-10 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 9.0 x 10-9 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.1 x 10-8 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 8.0 x 10-10 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Bobot molekuler | 713.78 | ||
| PKA | 8.23 ± 0.10 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -1.90 ± 0,20 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kapadhetan
| Properti | Regane | Kondisi | Sumber |
| Kapadhetan | 1.315 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 542.7 ± 3.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Lipinski
| Properti | Regane | Kondisi | Sumber |
| Obligasi kanthi bebas | 13 | (1) ACD | |
| H Nampa | 11 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor / Sumrah Panampa | 14 | (1) ACD | |
| logp | 6.382 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 713.78 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Area permukaan polar | 136 A2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
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