C43H55N4O10p uridine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methox yethyl)-5-methyl-, 3 '-[2-cyanoethyl N, n-metylethyl)
Nombor pendaftaran CAS
163878-63-5
H302
Sifat fizikal utama | Nilai | Keadaan |
Berat molekul | 818.89 | - |
PKA (diramalkan) | 9.55 ± 0.10 | Tempatan yang paling berasid: 25 ° C |
Senyuman 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)
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) nc (= o) c (c) = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/c43H55N4O10P/C1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 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/H9-11,13-22,27-30,20,20,20,20,20,20,20,20,20,20,20,20,20,26-30,20,20,20,20,2. 1-8h3, (h, 45,48,49)/t37-, 38-, 39-, 41-, 58?/M1/s1
Kunci Inchi
Yfrrkzdudxhjnc-kzqaakllsa-n
17 nama lain untuk bahan ini
Uridine, 5 ' -O-[bis (4-methoxyphenyl) phenylmethyl] -2 '-O-(2-methoxyethyl)-5-metil-, 3 '-[2-cyanoethyl bis (1-methylethyl) fosfor
amidite] (9CI); 10: PN: US20030212017 Page: 18 Dikatakan RNA; 11: PN: US20030211606 Page: 18 Dikatakan RNA; 13: PN: US20040
005569 Page: 21 Diklaimed RNA; 13: PN: US20040006030 Page: 22 RNA yang dituntut; 13: PN: US20040014048 Page: 19 mendakwa RNA; 13: PN: US20040014049 Page: 19 mendakwa RNA; 14: PN: US20030198965 Page: 19 Diklaimed RNA; 14: PN: US20040005565 Page: 17-22 RNA yang dituntut; 14: PN: US200400055570 Page: 19 Diklaimed RNA; 14: PN: US20040014047 Page: 19 mendakwa RNA; 14: PN: US20040
014699 Page: 19 mendakwa RNA; 15: PN: US20040014050 Page: 19 Diklaimed RNA; 15: PN: US20040014051 Page: 21 Dikatakan RNA; 15:
PN: WO03106645 Page: 69 mendakwa RNA; 16: PN: US20040006029 Page: 22 yang dituntut RNA; 87: PN: US20040005707 Page: 19 mendakwa RNA
Spektrum tersedia
1 h nmr
13 C NMR
Hetero NMR
Hartanah tersedia
Biologi
Kimia
Lipinski
Struktur berkaitan
Harta | Nilai | Keadaan | 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) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Harta | Nilai | Keadaan | 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 |
Harta | Nilai | Keadaan | 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 Massa | 0.046 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 5.7 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 7.6 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 2.5 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 2.0 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 2.0 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 2.0 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 2.0 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 2.5 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 7.4 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
Kelarutan Massa | 2.0 x 10-4 g/l | Air yang tidak disengajakan pH 7.00; 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 |
Harta | Nilai | Keadaan | 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 yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
Berat molekul | 818.89 | ||
PKA | 9.55 ± 0.10 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
PKA | 3.45 ± 0.70 | 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 | 21 | (1) ACD | |
H penerima | 14 | (1) ACD | |
H penderma | 1 | (1) ACD | |
H penderma/penerima jumlah | 15 | (1) ACD | |
logp | 6.761 ± 0.669 | Temp: 25 ° C. | (1) ACD |
Berat molekul | 818.89 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Harta | Nilai | Sumber keadaan |
Kawasan permukaan kutub | 164 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
Sumber Penyata Hazard Kod | |
H302 berbahaya jika ditelan | Klasifikasi & Pelabelan Agensi Kimia Eropah (ECHA) Inventori - Klasifikasi dan Pelabelan Diberatkan - Pemberitahuan yang paling biasa, Agensi Kimia Eropah (ECHA) Klasifikasi & Pelabelan Inventori - Klasifikasi dan Pelabelan Diberatkan - Pemberitahuan yang paling serius |