C43H55N4O10P uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methox yethyl)-5-metil-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) amidite (2-cyanoethyl N, N-BIS (1-methylethyl) amidite (2-cyanoethyl) (1-methylethyl) amidite (2-cyanoethyl) (1-Methylethyl) (2-cyanoethyl] (1-BIS (1-methylethyl) (2-cyanoethyl] (1-BIS) (1-methylethyl) (2-cyanoethyl] (1-BIS (1-methylethyl) (2-cyanoethyl] (1-Methylethyl) (
Nomor Registri CAS
163878-63-5
H302
Sifat fisik utama | Nilai | Kondisi |
Berat molekul | 818.89 | - |
pKa (diprediksi) | 9,55 ± 0,10 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
N#CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C) 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) nc (= o) c (c) = c2) (c3 = cc = c = c = c = c3) = C (OC) C = C4) C5 = CC = CC = C5
Inci
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34/H9-11,13-22,27,29-30,37-37-39,41H2,28H2,29,29-30,37-37-39,41H2,28H2,29,29,37-37-39,48H2,28 1-8H3, (H, 45,48,49)/T37-, 38-, 39-, 41-, 58?/M1/S1
Kunci Inchi
Yfrrkzdudxhjnc-kzqaakllsa-n
17 nama lain untuk zat ini
Uridine, 5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-metoksietil)-5-metil-, 3 ′-[2-cyanoethyl bis (1-methylethyl) Fosfor
amidite] (9ci); 10: PN: US20030212017 Halaman: 18 diklaim RNA; 11: PN: US20030211606 Halaman: 18 diklaim RNA; 13: PN: US20040
005569 Halaman: 21 mengklaim RNA; 13: PN: US20040006030 Halaman: 22 diklaim RNA; 13: PN: US20040014048 Halaman: 19 diklaim RNA; 13: PN: US20040014049 Halaman: 19 diklaim RNA; 14: PN: US20030198965 Halaman: 19 diklaim RNA; 14: PN: US20040005565 Halaman: 17-2 22 Diklaim RNA; 14: PN: US20040005570 Halaman: 19 diklaim RNA; 14: PN: US20040014047 Halaman: 19 diklaim RNA; 14: PN: US20040
014699 Halaman: 19 diklaim RNA; 15: PN: US20040014050 Halaman: 19 diklaim RNA; 15: PN: US20040014051 Halaman: 21 diklaim RNA; 15:
PN: WO03106645 Halaman: 69 diklaim RNA; 16: PN: US20040006029 Halaman: 22 diklaim RNA; 87: PN: US20040005707 Halaman: 19 Klaim RNA
Spektrum tersedia
1 h nmr
13 C NMR
Hetero NMR
Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur
Milik | Nilai | Kondisi | Sumber |
Faktor biokonsentrasi | 348 | pH 1; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 2810 | pH 2; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 21100 | pH 3; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 63100 | pH 4; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 78800 | pH 5; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 80800 | pH 6; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 80800 | pH 7; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 78800 | pH 8; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 63400 | pH 9; Temp: 25 ° C. | (1) ACD |
Faktor biokonsentrasi | 21800 | 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 | 487 | pH 1; Temp: 25 ° C. | (1) ACD |
Koc | 3940 | pH 2; Temp: 25 ° C. | (1) ACD |
Koc | 29600 | pH 3; Temp: 25 ° C. | (1) ACD |
Koc | 88400 | pH 4; Temp: 25 ° C. | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Koc | 1.10 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
Koc | 1.13 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
Koc | 1.13 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
Koc | 1.10 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
Koc | 88800 | pH 9; Temp: 25 ° C. | (1) ACD |
Koc | 30600 | pH 10; Temp: 25 ° C. | (1) ACD |
logd | 4.39 | pH 1; Temp: 25 ° C. | (1) ACD |
logd | 5.30 | pH 2; Temp: 25 ° C. | (1) ACD |
logd | 6.18 | pH 3; Temp: 25 ° C. | (1) ACD |
logd | 6.65 | pH 4; Temp: 25 ° C. | (1) ACD |
logd | 6.75 | pH 5; Temp: 25 ° C. | (1) ACD |
logd | 6.76 | pH 6; Temp: 25 ° C. | (1) ACD |
logd | 6.76 | pH 7; Temp: 25 ° C. | (1) ACD |
logd | 6.75 | pH 8; Temp: 25 ° C. | (1) ACD |
logd | 6.65 | pH 9; Temp: 25 ° C. | (1) ACD |
logd | 6.19 | pH 10; Temp: 25 ° C. | (1) ACD |
logp | 6.761 ± 0,669 | Temp: 25 ° C. | (1) ACD |
Kelarutan intrinsik massa | 2.0 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 0,046 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 5.7 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 7.6 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 2.5 x 10-4 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 2.0 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 2.0 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 2.0 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 2.0 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 2.5 x 10-4 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 7.4 x 10-4 g/L | pH 10; Temp: 25 ° C. | (1) ACD |
Kelarutan massal | 2.0 x 10-4 g/l | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
Kelarutan intrinsik molar | 2.4 x 10-7 mol/L | Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 5.6 x 10-5 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 7,0 x 10-6 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Kelarutan molar | 9.3 x 10-7 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 3.1 x 10-7 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 2,5 x 10-7 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 2.4 x 10-7 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 2.4 x 10-7 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 2,5 x 10-7 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 3.1 x 10-7 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 9.0 x 10-7 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
Kelarutan molar | 2.4 x 10-7 mol/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
Berat molekul | 818.89 | ||
PKA | 9,55 ± 0,10 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
PKA | 3,45 ± 0,70 | 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 | 21 | (1) ACD | |
H akseptor | 14 | (1) ACD | |
H donor | 1 | (1) ACD | |
H donor/jumlah akseptor | 15 | (1) ACD | |
logp | 6.761 ± 0,669 | Temp: 25 ° C. | (1) ACD |
Berat molekul | 818.89 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Milik | Nilai | Sumber Kondisi |
Area Permukaan Kutub | 164 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
Sumber Pernyataan Bahaya Kode | |
H302 berbahaya jika tertelan | Klasifikasi & Pelabelan Badan Kimia Eropa (ECHA) Inventarisasi - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Umum, Badan Kimia Eropa (ECHA) Inventarisasi Klasifikasi & Pelabelan - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Serius |