C39H46FN4O8P Uridinia, 5 '-o- [BIS (4-meteixyl] -2' - [2-Cyanoethyl N, N-BIS (1-Methylethyl) (ACI)
Nomer Registri CAS
146954-75-8
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 748.78 | - |
Pka (diprediksi) | 9.39 ± 0,10 | Temp paling asam: 25 ° C |
Mesem kanonik
N # cccop (oc1c (f) c (oc1coc (c = 2c = c4 = c3) c3 = c3) c3 = c3) n5c = c3 = c) n (c) c) c (c) c
Mesem isomerat
C (oc [c @@@ h] 1 [c @@ h] (n (c) c = c3) (oca) (oc) (oc) (oc) (oc = c3) (oc) c (oc) c = C4) C5 = CC = CC = C5
INCI
Kopi = 1s / c39h46fn4o8p / C1-26 (2) 44 (3-2) 53-23-10 (35) 40-3) 40-3) 46-3) 25-49-3 (45) 46) -8-7-9-121-28,29-13-17-31 (47-5) 30-15-19-31 (48-6) 20-16-6/23-21,26-27,1-665H2,1-67, 10,2,45,46) / t3 3-, 35-, 36-, 37-, 53? / M1 / s1
Kunci inci
Hqhqpayrjjmyqx-djtpzymwa-n
1 Jeneng liyane kanggo zat iki
Uridine, 5 '-O- [bis (4-meteixyphenht) -_lmethyl] -2 '-dooxy-2' -fluoro-, 3 '- [2-Cyanoethyl BIS (1-Methylethyl) (9CI)
Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 457 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 3690 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 27700 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 82900 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.04 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.06 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.06 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.02 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 76200 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 22000 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Sumber kondhisi properti |
KOC 592 PH 1; Temp: 25 ° C (1) ACD |
KOC 4790 PH 2; Temp: 25 ° C (1) ACD |
KOC 36000 PH 3; Temp: 25 ° C (1) ACD |
KOC 1.07 x 105 PH 4; Temp: 25 ° C (1) ACD |
KOC 1.34 x 105 ph 5; Temp: 25 ° C (1) ACD |
KOC 1.38 x 105 ph 6; Temp: 25 ° C (1) ACD |
KOC 1.37 x 105 PH 7; Temp: 25 ° C (1) ACD |
KOC 1.33 x 105 PH 8; Temp: 25 ° C (1) ACD |
KOC 98800 PH 9; Temp: 25 ° C (1) ACD |
KOC 28600 Ph 10; Temp: 25 ° C (1) ACD |
Logd 4,55 PH 1; Temp: 25 ° C (1) ACD |
Logd 5.46 PH 2; Temp: 25 ° C (1) ACD |
Logd 6.33 PH 3; Temp: 25 ° C (1) ACD |
Properti | Regane | Kondisi | Sumber |
logd | 6.81 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 6.91 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 6.92 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 6.92 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 6.90 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 6.77 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.23 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 6.918 ± 0.641 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 2.2 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.1 x 10-3 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 6,3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 8.2 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.8 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.2 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.2 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.2 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.2 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.0 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.0 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.2 x 10-5 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 2.9 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6,8 x 10-6 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.4 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.1 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.7 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.0 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.9 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.9 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 | 4.0 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1,4 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.9 x 10-8 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Bobot molekuler | 748.78 | ||
PKA | 9.39 ± 0,10 | Temp paling asam: 25 ° C | (1) ACD |
PKA | 3.45 ± 070 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Obligasi kanthi bebas | 17 | (1) ACD | |
H Nampa | 12 | (1) ACD | |
H donor | 1 | (1) ACD | |
H Donor / Sumrah Panampa | 13 | (1) ACD | |
logp | 6.918 ± 0.641 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 748.78 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Sumber kahanan |
Area permukaan polar | 145 a2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)