C34h39n3o8 cytidine, 5'-o- [bis (4-meteixyphenyl) -2'-o- (2-metil- (9Ci, ACI)
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 617.69 | - |
Titik Giling (diprediksi) | 762.6 ± 70.0 ° C | Pencet: 760 torr |
Kapadhetan (diprediksi) | 1.27 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 13,31 ± 070 | Temp paling asam: 25 ° C |
Mesem canonical o = c1n = c (n) c (= cn1c2Oc (cn1c2Oc (coc = c5 = c4 = c5 = c5 = c5) c2okccoc) c
Mesem isomerik c (oc @ h] 1o [C @ = c4) (oc) c5 (oc) c5 (oc) c5 (oc) c5 = c4 = c4 = c5 = c5 = c5 = c5 = c4 = c5
INCI
Kopi = 1s / c34h39n3o8 / c1-22-20-3-3-31 (43-19-18-40-2) 29-9-2 (23-9-2) 29-9-23,24-10-14-24-10-14 (4 1-3) 15-11-24) 25-12-6-27 (42-4) 17-13-25 / h5-17,20,38h, 18-19,21h2,1-47, (H2,35,36,39-, 30-, 32- / S1
Kunci inci
Liktvjjxzqtnpk-pbamlimusa-n
24 Jeneng liya kanggo zat iki
5'-o- [bis (4-meteixyphenly) phenylmethyl] -2'-o- (2-metexyethyl) -5-methylcylcytidine; 11: PN: US20030170636 Kaca: Nuduhake RNA; 12: PN: US2003021111606 Kaca: 18 nyatakake R NA; 12: PN: US20030212017 Halaman: 19 ngaku R NA; 14: PN: US20040005569 Pag e: 21 Nuduhake RA; 15: PN: US200400055565 Halaman: 17-22 ngaku RNA; 15: PN: US20040005570 kaca: 19 Nuduhake RA; 15: PN: U S20040006030 Halaman: 22 Nuduhake R NA; 15: PN: US200400140848 Kaca: 19 Nuduhake R NA; 16: PN: US20030171313 Kaca: Nuduhake RNA; 16: PN: US2003019865 Halaman: 19 ngaku R NA; 16: PN: US20040014047 Halaman: 19 nyatakake R NA; 16: PN: US20040014049 Kaca:
19 ngaku RNA; 17: PN: US200400151 Kaca: 21 Nuduhake RA; 17: PN: US20040014699 Kaca: 19 nyatakake R NA; 17: pn: w
O03106645 Halaman: 69 ngaku R NA; 18: PN: US20040006029 Kaca: 22 Nuduhake RA; 2'-o-O-METEXYETL-5'-o-o-o-o-o-o-o-o-o-o-DimethylyTrityL-5- metilytidine; 58: PN: US20030166592 Kaca: 15 nyatakake R NA; 5: PN: WO2005006958 Halaman: 61 ngaku R NA; 7: PN: WO20050 07825 Halaman: 61 ngaku R NA; 82: PN: US200401715666666666666666666 kaca: 18 nyatakake R NA; 89: PN: US20040005707 Halaman: 19 ngaku R NA; 9: PN: WOX3084478 Kaca: 56 ngaku R NA
Properties kasedhiya |
Biologis |
Kimia |
Kapadhetan |
Lipinski |
Struktur sing gegandhengan |
Termal |
Biologis
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 1.56 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.99 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 6.19 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 38.0 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 116 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 146 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 150 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 151 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 151 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 151 | 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 | 13.0 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 16.6 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 51.8 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 318 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 966 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 1220 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1260 | pH 7; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Koc | 1260 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1260 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 1260 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 1.18 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 1.29 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 1.78 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 2.57 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 3.05 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 3.16 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 3.17 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 3.17 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 3.17 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 3.17 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 3.169 ± 0598 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 5.2 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0.51 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0,40 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0.13 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0,020 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 6.8 x 10-3 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.4 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.2 x 10-3 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.2 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.2 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.3 x 10-3 g / l | Banyu sing ora diluncurake pch 7.05; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 8.4 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.2 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6.4 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.1 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.3 x 10-5 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.1 x 10-5 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 8.7 x 10-6 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.5 x 10-6 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.4 x 10-6 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.4 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.4 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.5 x 10-6 mol / l | Banyu sing ora diluncurake pch 7.05; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 617.69 | ||
PKA | 13,31 ± 070 | Temp paling asam: 25 ° C | (1) ACD |
PKA | 4.58 ± 0,10 | Umume Temp: 25 ° C | (1) ACD |
Meksa uap | 1.89 x 10-24 Torr | 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 | 1.27 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 483.8 ± 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 | 11 | (1) ACD | |
H donor | 3 | (1) ACD | |
H Donor / Sumrah Panampa | 14 | (1) ACD | |
logp | 3.169 ± 0598 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 617.69 |
(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 | 134 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Termal
Properti | Regane | Kondisi | Sumber |
Titik Giling | 762.6 ± 70.0 ° C | Pencet: 760 torr | (1) ACD |
Enthalpy saka Vaporization | 116.53 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
Sligan Point | 415.0 ± 35,7 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR