![C50H60N5O10P cytidine, N-benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methoxyethyl)-5-methyl-, 3 '-[2-cyanoethyl N,](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10p cytidine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methoxyethyl)-5-methyl-, 3 '-[2-cytanoethyl N, N-metiletil)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P cytidine, N-benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methoxyethyl)-5-methyl-, 3 '-[2-cyanoethyl N,
Nombor pendaftaran CAS
163759-94-2
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 922.01 | - |
| PKA (diramalkan) | 8.59 ± 0.40 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC4)
Tersenyum isomerik
C (OC [c @@ h] 1 [c @@ h] (op (n (c) c) c (c) c) occc#n) [c @@ h] (occoc) [c @@ h] (o1) n2c (= o) n = c (nc (= o) = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (35) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-14-14-19-38-29-29-29-29-29-29-29-29-29-29-20-4-4 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-30-58-6) 54-32-36 (5) 46 (53-49 (54) 35,43-45,48h, 15,29-31,33h2,1-8h3, (H, 52,53,56,57)/T43-, 44-, 45-, 48-, 66?/M1/S1
Kunci Inchi
Fligvmliidvdsn-gicdfoiusa-n
26 nama lain untuk bahan ini
Cytidine,N-benzoyl -5 ' -O-[bis (4-methoxyphenyl) phenylmethyl] -2 '-O-(2-methoxyethyl)-5-metil-, 3 '-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI); 12: PN: WO03084478 Page: 57 DALAM DNA; 14: PN: US20030170636 Page: 17 mendakwa DNA; 15: pn: u
S20030211606 Page: 19 mendakwa DNA; 15: PN: US20030212017 Page: 19 mendakwa DNA; 16: PN: US20040005569 Page: 22 yang dituntut DNA; 17: PN: US20040006030 Page: 23 DALAM DNA; 17: PN: US20040014049 Page: 20 yang dituntut DNA; 18: PN: US20040014047 PAG E: 20 DALAM DNA; 18: PN: US20040014048 Page: 20 yang dituntut DNA; 18: PN: US20040014050 Page: 20 yang dituntut DNA; 19: PN: u
S20030171313 Page: 9 mendakwa DNA; 19: PN: US20030198965 Page: 20 yang dituntut DNA; 19: PN: US20040005565 Page: 17-22 DALAM DNA; 19: PN: US20040005570 Page: 20 yang dituntut DNA; 19: PN: US20040014051 Page: 22 yang dituntut DNA; 20: PN: US20040014699 PAG
E: 20 mendakwa DNA; 21: PN: US20040006029 Page: 23 yang dituntut DNA; 21: PN: WO03106645 Page: 72 mendakwa DNA; 61: PN: US20030
166592 Page: 15 mendakwa DNA; 7: PN: WO2005006958 PAGE: 62 DALAM DNA; 84: PN: US20040171566 Page: 18 yang dituntut DNA; 92:
PN: US20040005707 Page: 20 yang dituntut DNA; 9: PN: WO2005007825 Page: 62 mendakwa DNA;N4-benzoyl-2 '-O-methoxyethyl-5-O-Dimethoxytrityl-5-methylcytidine-3 '-phosphoramidite;N4-benzoyl-2 '-O-methoxyethyl -5 ' -O-dimethoxytrityl-5-methylcytidine-3 '-amidite
Spektrum tersedia
13 C NMR
Hetero NMR
Hartanah tersedia
Biologi
Kimia
Lipinski
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 171 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1250 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 47600 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 6.44 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 7.79 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.63 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 30800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| KOC | 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 773 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 29500 | pH 3; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 3.99 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 8.02 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 8.70 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 8.16 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 4.83 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 1.01 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 19100 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.48 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 5.34 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 6.92 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 8.06 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 8.36 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 8.39 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 8.37 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 8.14 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.46 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.73 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1.4 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.1 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.16 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.1 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.0 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.5 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.5 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.5 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.2 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 6.3 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.5 x 10-4 g/l | Air yang tidak disengajakan pH 6.97; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.5 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.2 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 1.7 x 10-4 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.4 x 10-6 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.2 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.7 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.3 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.8 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 x 10-7 mol/l | Air yang tidak disengajakan pH 6.97; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 922.01 | ||
| PKA | 8.59 ± 0.40 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.87 ± 0.20 | Tempatan paling asas: 25 ° C | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 22 | (1) ACD | |
| H penerima | 15 | (1) ACD | |
| H penderma | 1 | (1) ACD | |
| H penderma/penerima jumlah | 16 | (1) ACD | |
| logp | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 922.01 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 176 A2 | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 h nmr
13 C NMR
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