![C39h37n5o7 adenosine, n-benzoyl-5'-o- [BIS (4-meteixyphenyl) -2lmethyl] -2'- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 adenosine, N-benzoyl-5'-o- [BIS (4-meteixyphanyl) -2'- o-methyl- (9Ci, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 687.74 | - |
| Kapadhetan (diprediksi) | 1.32 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 7.87 ± 0.43 | Temp paling asam: 25 ° C |
Mesem kanonik o = c (nc1 = nc = nc2 = cN2c3Oc (c5 = c5 = c5) c6Oc) c (oc = c3) c5
Mesem isomerat
C (OC [C @ H] 1O [C @ _) N2C = C4 = C5 = c5 = c5) (oc) (oc) c5 (oc) c C7 = cc = cc = c7
INCI
Kopi = 1s / c39h37n5o7 / c1-47-29-18-14-29 (15-19-29) 39 (26-13-26,28-16-6,28-16) 21-17-28) 34 (49-3) 38 (59-3) 38 (59-3) 38 31) 44-24-42-323-4 (3-23-41-36 (32) 43-3-7 (46-6-4-7-11-25), 228,413h3, (H, 40,41,43,46) / T31-, 33-,
34-, 38- / m1 / s1
Kunci inci
Sarhdaqoznkzcc-cjegosrcsa-n
1 Jeneng liyane kanggo zat iki
N-benzoyl-5'-o- [BIS (4-meteixyphenyl) phenylmethyl] -2'-o-metyladenosine (ACI)
Spektrum kasedhiya
1h nmr
13c NMR
Massa
Properties kasedhiya
Biologis
Kimia
Kapadhetan
Lipinski
Struktur sing gegandhengan
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 47800 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.63 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.16 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.23 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.23 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.18 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.79 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 64900 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 10600 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 3110 | 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 | 50200 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.71 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 2.26 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 2.34 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 2.34 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 2.29 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1.88 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Koc | 68000 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 11200 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 3260 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 6.67 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.21 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.34 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.34 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.25 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.80 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.02 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 5.49 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.344 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 2.7 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.2 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.7 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.8 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.8 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.8 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.8 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.4 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 9.6 X 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.7 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.9 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.4 x 10-6 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 3.9 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.8 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 5.4 x 10-9 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.1 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.0 x 10-9 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.0 x 10-9 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 4.0 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.9 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 8.3 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.8 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.9 x 10-9 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 687.74 | ||
| PKA | 7.87 ± 0.43 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 1.39 ± 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 | 1.32 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 518.5 ± 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 | 12 | (1) ACD | |
| H Nampa | 12 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Sumrah Panampa | 14 | (1) ACD | |
| logp | 7.344 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 687.74 |
(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 | 139 A2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
Spektrum kasedhiya
13c NMR
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