C41H51N1O8SI Guanosine, 5'-O- [BIS (4-ManteXypyl) -2'-o - (1-methropylethyl) - (9-methropylathyl)
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 769.96 | - |
Kapadhetan (diprediksi) | 1.25 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 9.16 ± 0,20 | Temp paling asam: 25 ° C |
Mesem canonical o = c1n = c (nc (= o) c (c) c) nc2 = c5 = c5 (c) (c) (c) c3 (c) (c) c
Mesem isomerat
C (OC [C @ h] 1O [C @ H] ([C) (c) (C)) 1o) 1O) 1 C (n = C2) c ( = O) n = c (nc (c (c) c) = o) n3) (c4 = c5) (oc) c5 (oc) c5 c6 = c5 = c5 = c5
INCI
Kopi = 1s / c41h51o8si / c1-25 (2) 36 (48 (34-55) 42 (3,4) 40 (33-3) 2013 (53-3) 23-52-7) 23-52-7) 6-13-11-10-12-147-15-15,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 228,3,33-2,31,3,17h, 237,3-9H3,
48,49) / t31-, 33-, 34-, 38- / m1 / s1
Kunci inci
Jmcnkjfoijgyrg-cjegosrcsa-n
1 Jeneng liyane kanggo zat iki
5'-o- [bis (4-meteixyphentry) -2'-o - [(1,1-dimethylylethyl] dimethropylethyl] dimethropylyl] dimethropylyl] dimethropropylyl) Guanosine (ACI)
Spektrum kasedhiya
1h nmr
13c NMR
Massa
Properties kasedhiya |
Biologis |
Kimia |
Kapadhetan |
Lipinski |
Struktur sing gegandhengan |
Biologis
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 1.38 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 3.53 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 4.18 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 4.26 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 4.26 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 4.26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 4.21 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 3.77 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.86 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 33800 | 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 | 1.21 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 3.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3.65 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 3.73 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 3.68 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Koc | 3.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 29600 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 7.22 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.63 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 7.70 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 7.71 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 7.71 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 7.71 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 7.70 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 7.66 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.35 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.61 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 7.710 ± 0709 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 2.7 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 8.5 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.3 x 10-5 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.8 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.7 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.7 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.7 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.8 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 6.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.8 x 10-5 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 3,5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.1 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.3 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.6 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3,5 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3,5 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 3,5 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.6 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.1 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4,5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.6 x 10-8 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 769.96 | ||
PKA | 9.16 ± 0,20 | Temp paling asam: 25 ° C | (1) ACD |
PKA | 1.73 ± 0.10 | 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 | 1.25 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 615.5 ± 7.0 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 | 14 | (1) ACD | |
H Nampa | 13 | (1) ACD | |
H donor | 3 | (1) ACD | |
H Donor / Sumrah Panampa | 16 | (1) ACD | |
logp | 7.710 ± 0709 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 769.96 |
(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 | 155 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR