C36h39n5o8 Guanosine, 5'-o- [bis (4-meteixyphanyl) -2'-o-methropyl- n- (2-metil-1-oxopropyl) - (9ci, ACI, ACI, ACI, ACI, ACI, ACI)
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 669.72 | - |
Kapadhetan (diprediksi) | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 9.16 ± 0,20 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1n = c (= o) c (c) c) nc2 = c5 = c5 = c5 = c5 = c6 = c6) c6Oc
Mesem isomerat
C (OC [C @ H] 1O [C @ h] (oc) c (oc) c (oc) c (oc) c9 (oc) c5 c9 = c5) c5
= Cc = c6
INCI
Kopi = 1s / c36h39n5o8 / C1-21 (2) 33-3) 33-3-5-41 (31-3-5) 29 (49-36 (22-9-2) 2.23-11-15-25 (45-3) 16-12-23) 24-14-17-26 (46-4) 18-14-18,20-21,27,427,40,43,44, (H2,38,44) / T27-, 29-, 30-, 34-, 30-, 34-, 30-, 34
- / m1 / s1
Kunci inci
Isqljogrnuqhjx-wifiacmtsa-n
1 Jeneng liyane kanggo zat iki
5'-o- [bis (4-meteixyphenly) -2lmethyl] -2'-o-metylpyl-n- (2-metil-1-oxopropyl) guanosine (ACI)
Properties kasedhiya |
Biologis |
Kimia |
Kapadhetan |
Lipinski |
Struktur sing gegandhengan |
Biologis
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 797 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2030 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2400 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2450 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2450 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2450 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2420 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2170 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1070 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 195 | 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 | 3020 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 7680 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 9100 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 9270 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 9290 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 9280 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 9170 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 8220 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 4050 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 737 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 4.27 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 4.68 | PH 2; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
logd | 4.75 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 4.76 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 4.76 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 4.76 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 4.76 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 4.71 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 4.40 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 3.66 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 3.1 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 9.4 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.7 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3,5 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 7.4 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.9 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.1 x 10-4 g / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 4.6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1,4 x 10-6 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.5 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.7 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.6 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.6 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.6 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.6 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.2 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.1 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.8 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 4.6 x 10-7 mol / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 669.72 | ||
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 | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 494.4 ± 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 | 12 | (1) ACD | |
H Nampa | 13 | (1) ACD | |
H donor | 3 | (1) ACD | |
H Donor / Sumrah Panampa | 16 | (1) ACD | |
logp | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 669.72 |
(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 | 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