C20H21NO4 1-Pyrrolidinacarboicylic Asam, 4-Hydroxy-2- (HydroxyMethyl) -, 9h- Fluorosisi-9-Ylmethyl Ester, (9S, 4R, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 339.39 | - |
| Titik Giling (diprediksi) | 549,8 ± 40.0 ° C | Pencet: 760 torr |
| Kapadhetan (diprediksi) | 1.318 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 14,53 ± 0.40 | Temp paling asam: 25 ° C |
Mesem kanonik o = c (occ1c = 2c = cc = cc = cc2c = 3C = cc = cc = cc31) n4cc (o) cc4co
Mesem isomerik c (oc (= o) n1 [C @ h] (C._ h] (c = 4c)
INCI
Kopi = 1s / C20H21NO4 / C22-11-13-9-14 (13) 10-6-2-5-18 (16-12-18,13-17-122-19,2223h, 9-12)
H2 / t13-, 14 + / m0 / s1
Kunci inci
Scxxardqpgggazju-uonogxrcsa-n
3 jeneng liya kanggo zat iki
Asam pyrrolidineCarboCoCoinBoics, 4 hydroxy-2- (hydroxyymethyl) -, 9-ylmethyl ester, (2s-trans) - (zci); 9h-Fluoren-9-Ylmethyl (2-Ylmethyl (2S, 4R) -4-Hydroxy-2- (hydroxyymethyl) -1-pyrrolidinecarboxyatate (ACI); (3R, 5S) -N-FNO-FNO-FNO-3-Hydroxpyrrolidine-5-Methanol
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
| Termal |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 49.6 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 49.6 | 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 | 569 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 569 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 569 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 569 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 569 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 569 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 569 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 569 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 569 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 569 | PH 10; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| logd | 2.53 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 2.53 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 2.534 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 0,078 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,078 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 2.3 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 2.3 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-4 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 339.39 | ||
| PKA | 14,53 ± 0.40 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -3.10 ± 0.60 | Umume Temp: 25 ° C | (1) ACD |
| Meksa uap | 6,35 x 10-13 Torr | 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 | 1.318 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 257.3 ± 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 | 6 | (1) ACD | |
| H Nampa | 5 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Sumrah Panampa | 7 | (1) ACD | |
| logp | 2.534 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 339.39 |
(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 | 70,0 A2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Termal
| Properti | Regane | Kondisi | Sumber |
| Titik Giling | 549,8 ± 40.0 ° C | Pencet: 760 torr | (1) ACD |
| Enthalpy saka Vaporization | 87.32 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
| Sligan Point | 286.3 ± 27.3 ° C | (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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