C38h37n3o8 durung diutus
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 663.72 | - |
| Kapadhetan (diprediksi) | 1.304 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 8.27 ± 0.10 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1nc (= o) n (c = c1c (= o) nc = c4 = c5 = c5 = c5 = c5) c6 = c6) c3
Mesem isomerat
C (OC [C @ H] 1o [C @ H] (C [oc) C3) (OC) C3 C3 C3 = C5 = c5 = c5 = c5 = c5 = c5 = c5 = c5 = c5 = c5
INCI
Kopi = 1s / c38h37n3o8 / c1-46-29-17-13-29 (14-18-29) 38-12-26,28-15-19,28-15-19-25 (47-2) 20-34 (49-33) 4 1-23-31 (36 (44) 40-37 (41 )5) 35 (43) 39-5-3-9-2-5-3-22222,2,23) (H, 40,44,45) / t32-
, 33 +, 34 + / m0 / s1
Kunci inci
Nzbfglzispisp-lbfzijhgsa-n
| Properties kasedhiya |
| Biologis |
| Properties kasedhiya |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 5250 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 5250 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 5260 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 5260 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 5250 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 5200 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 4720 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2460 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 466 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 96.9 | 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 | 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 |
| Properti | Regane | Kondisi | Sumber |
| 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 |
| Kelarutan Kelainan Intrinsik Massa | 9.3 X 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 9.3 X 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 9.3 X 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 9.3 X 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 9.3 X 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 9.3 X 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 9.3 X 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.1 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.0 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.1 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.1 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.1 x 10-5 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 1,4 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.7 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-8 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Bobot molekuler | 663.72 | ||
| PKA | 8.27 ± 0.10 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -1.66 ± 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 | 1.304 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 508,6 ± 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 | 5.198 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 663.72 |
(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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