![C45H56N7O9P guanosine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-metil- n- (2-methyl-1-oxopropyl)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56n7O9p guanosine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl- n- (2-methyl-1-oxopropyl)-, 3 '-[2-cyanoethyl N, N-BIS (1-metiletil) fosfora (1-metiletil)](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H56N7O9P guanosine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-metil- n- (2-methyl-1-oxopropyl)
Nombor pendaftaran CAS
150780-67-9
H303
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 869.94 | - |
| PKA (diramalkan) | 9.16 ± 0.20 | Tempatan yang paling berasid: 25 ° C |
N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) NC32) C1OC) COC (C = 4C = CC = CC4)
Tersenyum isomerik
C (OC [c @@ h] 1 [c @@ h] (op (n (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c3 = c (n = c2) c (= o) n = c (nc (c) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1s/c45h56n7o9p/c1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9)
46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-12-15-31,32-16-20-34 (55-7) 21-17-32) -30,36,38-39,43h, 13,25-26h2,1-9h3, (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1
Kunci Inchi
Irrdhrzuoznwdj-mlldkzsosa-n
1 nama lain untuk bahan ini
Guanosine, 5 ' -O-[bis (4-methoxyphenyl) phenylmethyl] -2 '-O-metil-N-(2-methyl-1-oxopropyl)-, 3 '-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Spektrum tersedia
13 C NMR
Hetero NMR
Hartanah tersedia
Biologi
Kimia
Lipinski
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 183 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3890 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 35500 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.08 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.36 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.39 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.38 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.24 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 63600 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 11900 | 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 | 220 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 4680 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 42600 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 1.30 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 1.63 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 1.67 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 1.65 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 1.49 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 76400 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 14200 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 5.52 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 6.48 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 6.96 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.06 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.07 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.07 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 7.02 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.73 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.00 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.072 ± 0.721 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1.2 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.096 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.3 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 4.8 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.6 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.2 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.2 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.2 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.7 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.2 x 10-4 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.4 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-4 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.0 x 10-6 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.5 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 1.4 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.6 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 | 1.6 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.4 x 10-7 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 869.94 | ||
| PKA | 9.16 ± 0.20 | 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 | 19 | (1) ACD | |
| H penerima | 16 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 18 | (1) ACD | |
| logp | 7.072 ± 0.721 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 869.94 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 194 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
| Kod | Penyata bahaya | Sumber |
| H303 | Mungkin berbahaya jika ditelan | Pakar yang dikendalikan |
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