![C50H60N5O10P sitidin, n-benzoil-5 ′ -O- [bis (4-metoksifenil) phenylmethyl] -2 ′ -O- (2-metoxyethyl)-5-metil-, 3 ′-[2-cyanoethyl N, n-bis (1-methylyl) [2-cyanoethyl N, N-BIS (1-methylyl)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50h60n5o10p sitidin, n-benzoil-5 ′ -o- [bis (4-metoksifenil) phenylmethyl] -2 ′ -O- (2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl n, n-bis (1-methylyl-, [2-cyanoethyl N, N-BIS (1-methylyl) [2-cyanoethyl N, N-BIS (1-methylyl) [2-cyanoethyl N, N-BIS (1-methylyl)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P sitidin, n-benzoil-5 ′ -O- [bis (4-metoksifenil) phenylmethyl] -2 ′ -O- (2-metoxyethyl)-5-metil-, 3 ′-[2-cyanoethyl N, n-bis (1-methylyl) [2-cyanoethyl N, N-BIS (1-methylyl)
Nomor Registri CAS
163759-94-2
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 922.01 | - |
| pKa (diprediksi) | 8,59 ± 0,40 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C
Senyum isomer
C (OC [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (occoc) [c @@ h] (o1) n2c (= o) n = c (nc (= o) c3 = cc = cc = c3) c (c) = c3) = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inci
Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-14-19-38-38,39-20-24-41 (59-13-14-14-14-14-38,39-20-24-41 (59-14-14-14-38) (59-24) (59-24) (59-24) (59-24-5 (59-24-5 (59-24) (59-24-5 (59-24) (59-5 (38-14-14-5 (38-14-14-5 (38-14-50 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-30-58-6) 54-32-36 (5) 46 (53-49-17-37-37-37-37 (56) (56) 37-16-16-12-12-12-17-37/57/47/57/57/47/57) (56) (56) (56) 37-16-16-16-17-19-19-1 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 Substansi Ini
Cytidine,N-benzoyl -5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-metoksietil)-5-metil-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9ci); 12: PN: WO03084478 Halaman: 57 DNA yang diklaim; 14: PN: US20030170636 Halaman: 17 DNA yang diklaim; 15: PN: u
S20030211606 Halaman: 19 DNA yang diklaim; 15: PN: US20030212017 Halaman: 19 DNA yang diklaim; 16: PN: US20040005569 Halaman: 22 DNA yang diklaim; 17: PN: US20040006030 Halaman: 23 DNA yang diklaim; 17: PN: US20040014049 Halaman: 20 DNA yang diklaim; 18: PN: US20040014047 PAG E: 20 diklaim DNA; 18: PN: US20040014048 Halaman: 20 DNA yang diklaim; 18: PN: US20040014050 Halaman: 20 DNA yang diklaim; 19: PN: u
S20030171313 Halaman: 9 diklaim DNA; 19: PN: US20030198965 Halaman: 20 DNA yang diklaim; 19: PN: US20040005565 Halaman: 17-22 DNA yang diklaim; 19: PN: US20040005570 Halaman: 20 DNA yang diklaim; 19: PN: US20040014051 Halaman: 22 DNA yang diklaim; 20: PN: US20040014699 PAG
E: 20 Diklaim DNA; 21: PN: US20040006029 Halaman: 23 DNA yang diklaim; 21: PN: WO03106645 Halaman: 72 DNA yang diklaim; 61: PN: US20030
166592 Halaman: 15 diklaim DNA; 7: PN: WO2005006958 Halaman: 62 DNA yang diklaim; 84: PN: US20040171566 Halaman: 18 DNA yang diklaim; 92:
PN: US20040005707 Halaman: 20 DNA yang diklaim; 9: PN: WO2005007825 Halaman: 62 DNA yang diklaim;N4-benzoyl-2 ′-O-methoxyethyl-5-O-dimethoxytrityl-5-methylcytidine-3 ′ -fosforamidit;N4-benzoyl-2 ′-O-methoxyethyl -5 ′ -O-dimethoxytrityl-5-methylcytidine-3 ′-amidite
Spektrum tersedia
13 C NMR
Hetero NMR
Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur
| Milik | Nilai | Kondisi | 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) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | 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 |
| Milik | Nilai | Kondisi | 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 massal | 1.1 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,16 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4.1 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.0 x 10-4 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,5 x 10-4 g/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.4 x 10-4 g/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,5 x 10-4 g/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.5 x 10-4 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.2 x 10-3 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 6.3 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,5 x 10-4 g/L | PH Air yang Tidak Terbuka 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 |
| Milik | Nilai | Kondisi | 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 | PH Air yang Tidak Terbuka 6.97; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 922.01 | ||
| PKA | 8,59 ± 0,40 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,87 ± 0,20 | Paling Basa Temp: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 22 | (1) ACD | |
| H akseptor | 15 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor/jumlah akseptor | 16 | (1) ACD | |
| logp | 8,401 ± 0,723 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 922.01 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 176 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1 h nmr
13 C NMR
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