![C42H52N5O9P cytidine, N-acetyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- metil-, 3 '-[2-cyanoethyl n, n-bis (1-methylethyl)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P cytidine, N-acetyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- methyl-, 3 '-[2-cyanoethyl n, n-bis (1-methylethyl)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9P cytidine, N-acetyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- metil-, 3 '-[2-cyanoethyl n, n-bis (1-methylethyl)
Nombor pendaftaran CAS
199593-09-4
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 801.87 | - |
| PKA (diramalkan) | 10.18 ± 0.20 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
N#CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C) C1OC) 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] (oc) [c @@ h] (o1) n2c (= o) n = c (c) = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1s/c42h52n5o9p/c1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38) -42 (31-13-10-9-11-14-31,32-15-19-34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33/h9-11,13-23,25,28-29-40H, H, 44,45,48,49)/T36-, 38-, 39-, 40-, 57?/M1/S1
Kunci Inchi
Wnwumipfloktez-uaqipllrsa-n
1 nama lain untuk bahan ini
Cytidine,N-Acetyl -5 ' -O-[bis (4-methoxyphenyl) phenylmethyl] -2 '-O-methyl-, 3 '-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Hartanah tersedia
Biologi
Kimia
Lipinski
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 4.77 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 50.1 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 2190 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 21700 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 35700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 37800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 37900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 37300 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 31400 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 12300 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Sumber Keadaan Nilai Harta |
| KOC 8.29 pH 1; Temp: 25 ° C (1) ACD |
| KOC 87.1 pH 2; Temp: 25 ° C (1) ACD |
| KOC 3800 pH 3; Temp: 25 ° C (1) ACD |
| KOC 37700 pH 4; Temp: 25 ° C (1) ACD |
| KOC 62000 pH 5; Temp: 25 ° C (1) ACD |
| KOC 65700 pH 6; Temp: 25 ° C (1) ACD |
| KOC 65900 pH 7; Temp: 25 ° C (1) ACD |
| KOC 64700 pH 8; Temp: 25 ° C (1) ACD |
| KOC 54500 pH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 pH 10; Temp: 25 ° C (1) ACD |
| logd 2.43 pH 1; Temp: 25 ° C (1) ACD |
| logd 3.45 pH 2; Temp: 25 ° C (1) ACD |
| logd 5.09 pH 3; Temp: 25 ° C (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| logd | 6.09 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.30 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.33 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.32 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.25 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.84 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.329 ± 0.771 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1.8 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.14 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.2 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.9 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.8 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.8 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.8 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.2 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.6 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.8 x 10-4 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 2.3 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.7 x 10-4 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.9 x 10-6 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.0 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.4 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.8 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 7.0 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-7 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Berat molekul | 801.87 | ||
| PKA | 10.18 ± 0.20 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.57 ± 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 | 18 | (1) ACD | |
| H penerima | 14 | (1) ACD | |
| H penderma | 1 | (1) ACD | |
| H penderma/penerima jumlah | 15 | (1) ACD | |
| logp | 6.329 ± 0.771 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 801.87 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 167 A2 | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
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