C20H23N5O6 adenosine, N-benzoyl-2'-o- (2-METEXYETHYL) - (9CI, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 429.43 | - |
| Kapadhetan (diprediksi) | 1,53 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 13.15 ± 070 | Temp paling asam: 25 ° C |
Mesem kanonik o = c (nc1 = nc = nc2 = c1n = cn2c3Oc (co) c (o) c3occoc) c = 4c = cc4
Isomeric mesem o (ccoc) [C @ h] 1 [C @@_)
INCI
Kopi = 1s / C20H23N5O6 / C1-29-7-8-30-16-15 (27) 13-11-23-14-17 (21-10-23-18 (28-12 (28-12) 0-11,13,15-16,20,26-27h, 7-9h2,1h3, (h, 21,22,24,28 )/28) / t13-, 15-, 20- / M1 / / / / M1 / S1
Kunci inci
Rufjmcsvnngzfb-khtyjdqrsa-n
2 jeneng liya kanggo zat iki
Adenosine n-benzoyl-2'-2 (2-METEXYECY) (ACI); Adenosine N6-benzoyl-2'-2 (2-METEXYECYL)
Spektrum kasedhiya
1h nmr
13c NMR
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 3.71 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 14.6 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 20.9 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 21.8 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 21.9 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 21.8 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 21.4 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 17.6 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 6.52 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.08 | 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 | 53.2 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 210 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 299 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 312 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 314 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 313 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 306 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 253 | PH 8; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Koc | 93.5 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 15.5 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 1.30 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 1.90 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 2.05 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 2.07 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 2.07 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 2.07 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 2.06 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 1.98 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 1.54 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 0,76 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 0,030 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.17 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,0429 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,030 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,029 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,029 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,029 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,029 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,036 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.094 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.60 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,029 g / l | Banyu banyu sing ora dibayar 6.38; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 7.0 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.9 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.00 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.0 x 10-5 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.7 x 10-5 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.7 x 10-5 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.7 x 10-5 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 6,8 x 10-5 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 8.3 x 10-5 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.2 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.7 x 10-5 mol / l | Banyu banyu sing ora dibayar 6.38; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 429.43 | ||
| PKA | 13.15 ± 070 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 8.80 ± 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 | 1,53 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 280,3 ± 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 | 9 | (1) ACD | |
| H Nampa | 11 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor / Sumrah Panampa | 14 | (1) ACD | |
| logp | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 429.43 |
(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 | 141 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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