![C17H19N3O6 thymidine, α -oxo- α - [(fenilmetil) amino] - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C17H19N3O6 thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI) Gambar unggulan](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine.png)
C17H19N3O6 thymidine, α -oxo- α - [(fenilmetil) amino] - (ACI)
Nomor Registri CAS
944268-75-1
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 361.35 | - |
| Kepadatan (diprediksi) | 1.459 ± 0,06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 8,27 ± 0,10 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
O = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (co) c (o) c3
Senyum isomer
O = c1n ([c @@ h] 2o [c@h] (co) [c @@ h] (o) c2) c = c (c (ncc3 = cc = cc = c3) = o) c (= o) n1
Inci
Inchi = 1S/C17H19N3O6/C21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16 (24) 19-17 (20) 25) 15 (23) 18-7-10-4-2-1-3-5-10/H1-5,8,12-14,21-22H, 6-3-5-10/H1-5,8,12-14,21-22H, 6-5-5 H2, (H, 18,23) (H, 19,24,25)/t12-, 13+, 14+/m0/s1
Kunci Inchi
Vbryagcuexfmkm-bfhyxjousa-n
3 nama lain untuk zat ini
α -oxo -α -[(fenilmetil) amino] timidin (ACI); (Bndu); 7: PN: WO2020081510 SEQID: 7 Urutan yang Diklaim
Properti tersedia
Biologis
Kimia
Kepadatan
Lipinski
Terkait struktur
| Milik | Nilai | Kondisi | 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) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Sumber Kondisi Nilai Properti |
| 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 |
| Milik | Nilai | Kondisi | 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 massal | 0,13 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,13 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,13 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,13 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,13 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,14 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,15 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,29 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 7.2 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,14 g/l | Air PH 5.68 yang tidak terikat; 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 |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan molar | 3,8 x 10-4 mol/L | Air PH 5.68 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 361.35 | ||
| PKA | 8,27 ± 0,10 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | -1,66 ± 0,20 | 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 |
| Kepadatan | 1.459 ± 0,06 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 247,5 ± 3,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (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 | 7 | (1) ACD | |
| H akseptor | 9 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H donor/jumlah akseptor | 13 | (1) ACD | |
| logp | -0.212 ± 0,585 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 361.35 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 128 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
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