C33h35n3o8 cytidine, n-acetyl-5'-o- [bis (4-meteixyphanyl) -2'-metil- (9Ci, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 601.65 | - |
| Kapadhetan (diprediksi) | 1.28 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 10.19 ± 0,20 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1n = c (c = cn1c2Oc (coc = 3c) c5 = c5 = c5 = c5) c5 (oc) c5 (= o) c2oc) nc (= o) c
Mesem isomerik c (oc [c @ h] 1o [C3 = c3) (oc) c5 (oc) c5 (oc) c5 = c3 = c5 = c5 = c5 = c5 = c5 = c5
INCI
Kopi = 1s / c33h35n3o8 / C1-21 (37) 34 (39) 3-28 (42-3-5-7-9-3-5-7-9-22,23-1-10-120-6) 15-11-23) 24-12-16-26 (41-3) 17-13-24 / H5-19,27,29-31,38h, 20h2,1-4h3, (H, 34,35,37777-, 29-, 30-, 31- / M1 / S1
Kunci inci
Finuhojilnnnnnelq-pmfucwtesa-n
1 Jeneng liyane kanggo zat iki
N-acetyl-5'-o- [bis (4-meteixyphenyl) -2lmethyl] -2'-o-methylcylcytidine (ACI)
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 8.87 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 27.8 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 171 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 515 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 650 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 668 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 668 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 657 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 560 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 229 | 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 | 48.6 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 152 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 935 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 2820 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 3560 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 3660 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 3660 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 3600 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3070 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1250 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 2.14 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 2.64 | PH 2; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| logd | 3.43 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 3.91 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.01 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.02 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.02 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.01 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.94 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.55 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 1.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,10 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.032 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.2 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.7 x 10-3 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.4 x 10-3 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.3 x 10-3 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.6 x 10-3 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 | 1.3 x 10-3 g / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 2.2 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 5.3 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 8.6 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.9 x 10-6 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-6 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.6 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 6.4 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 2.2 x 10-6 mol / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 601.65 | ||
| PKA | 10.19 ± 0,20 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 3,57 ± 0,20 | 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 | 1.28 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 466.5 ± 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 | 11 | (1) ACD | |
| H Nampa | 11 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Sumrah Panampa | 13 | (1) ACD | |
| logp | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 601.65 |
(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 | 128 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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