![C17H19N3O6 thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C17H19N3O6 thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI) gambar yang dipaparkan](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine.png)
C17H19N3O6 thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)
Nombor pendaftaran CAS
944268-75-1
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 361.35 | - |
| Ketumpatan (diramalkan) | 1.459 ± 0.06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 8.27 ± 0.10 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
O = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (co) c (o) c3
Tersenyum isomerik
O = c1n ([c @@ h] 2o [c@h] (co) [c @@ h] (o) c2) c = c (c (ncc3 = cc = cc = c3) = o) c (= o) n1
Inchi
Inchi = 1S/C17H19N3O6/C21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16 (24) 19-17 (20) 25) H2, (H, 18,23) (H, 19,24,25)/T12-, 13+, 14+/m0/s1
Kunci Inchi
VBRYAGCUEXFMKM-BFHYXJOUSA-N
3 nama lain untuk bahan ini
α -oxo -α -[(phenylmethyl) amino] thymidine (ACI); (Bndu); 7: PN: WO2020081510 SEQID: 7 urutan yang dituntut
Hartanah tersedia
Biologi
Kimia
Ketumpatan
Lipinski
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | 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 18.3 pH 1; Temp: 25 ° C (1) ACD |
| KOC 18.3 pH 2; Temp: 25 ° C (1) ACD |
| KOC 18.3 pH 3; Temp: 25 ° C (1) ACD |
| KOC 18.3 pH 4; Temp: 25 ° C (1) ACD |
| KOC 18.3 pH 5; Temp: 25 ° C (1) ACD |
| KOC 18.1 pH 6; Temp: 25 ° C (1) ACD |
| KOC 16.4 pH 7; Temp: 25 ° C (1) ACD |
| KOC 8.56 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1.62 pH 9; Temp: 25 ° C (1) ACD |
| KOC 1.0 pH 10; Temp: 25 ° C (1) ACD |
| logd -0.21 pH 1; Temp: 25 ° C (1) ACD |
| logd -0.21 pH 2; Temp: 25 ° C (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| logd | -0.21 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.21 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.21 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.22 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.26 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -1.26 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.95 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.212 ± 0.585 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 0.13 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.13 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.13 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.13 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.13 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.13 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.14 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.15 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.29 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 7.2 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.14 g/l | Air yang tidak disengajakan pH 5.68; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 3.7 x 10-4 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.8 x 10-4 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.2 x 10-4 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.0 x 10-4 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.2 x 10-3 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.020 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 3.8 x 10-4 mol/l | Air yang tidak disengajakan pH 5.68; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 361.35 | ||
| PKA | 8.27 ± 0.10 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | -1.66 ± 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 |
| Ketumpatan | 1.459 ± 0.06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 247.5 ± 3.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 7 | (1) ACD | |
| H penerima | 9 | (1) ACD | |
| H penderma | 4 | (1) ACD | |
| H penderma/penerima jumlah | 13 | (1) ACD | |
| logp | -0.212 ± 0.585 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 361.35 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 128 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
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