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C17H19N3O6 Timidin, α -okso- α -[(fenilmetil)amino]- (ACI)
Nomor Registrasi CAS
Nomor telepon 944268-75-1
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 361.35 | - |
| Kepadatan (Diprediksi) | 1,459±0,06 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr |
| pKa (Diprediksi) | 8,27±0,10 | Suhu Paling Asam: 25 °C |
SENYUM KANONIK
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
SENYUM ISMER
Bahasa Indonesia: O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(C(NCC3=CC=CC=C3)=O)C(=O)N1
Di Cina
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/jam1-5,8,12-14,21-22H,6-7,9H2,(H,18,23)(H,19,24,25)/t12-,13+,14+/m0/dtk1
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
Struktur Terkait
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Nilai Properti Kondisi Sumber |
| Koc 18,3 pH 1; Suhu: 25 °C (1) ACD |
| Koc 18,3 pH 2; Suhu: 25 °C (1) ACD |
| Koc 18,3 pH 3; Suhu: 25 °C (1) ACD |
| Koc 18,3 pH 4; Suhu: 25 °C (1) ACD |
| Koc 18,3 pH 5; Suhu: 25 °C (1) ACD |
| Koc 18.1 pH 6; Suhu: 25 °C (1) ACD |
| Koc 16,4 pH 7; Suhu: 25 °C (1) ACD |
| Koc 8,56 pH 8; Suhu: 25 °C (1) ACD |
| Koc 1,62 pH 9; Suhu: 25 °C (1) ACD |
| Koc 1.0 pH 10; Suhu: 25 °C (1) ACD |
| logD -0.21 pH 1; Suhu: 25 °C (1) ACD |
| logD -0.21 pH 2; Suhu: 25 °C (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| catatan D | -0,21 | pH 3; Suhu: 25 °C | (1) ACD |
| catatan D | -0,21 | pH 4; Suhu: 25 °C | (1) ACD |
| catatan D | -0,21 | pH 5; Suhu: 25 °C | (1) ACD |
| catatan D | -0,22 | pH 6; Suhu: 25 °C | (1) ACD |
| catatan D | -0,26 | pH 7; Suhu: 25 °C | (1) ACD |
| catatan D | -0,54 | pH 8; Suhu: 25 °C | (1) ACD |
| catatan D | -1.26 | pH 9; Suhu: 25 °C | (1) ACD |
| catatan D | -1,95 | pH 10; Suhu: 25 °C | (1) ACD |
| catatan P | -0,212±0,585 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 0,13 gram/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,13 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,13 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,13 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,13 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,13 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,14 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,15 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,29 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,5 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 7,2 gram/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,14 gram/liter | Air Tanpa Penyangga pH 5,68; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 3,7 x 10-4 mol/liter | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,7 x 10-4 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,7 x 10-4 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,7 x 10-4 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,7 x 10-4 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,7 x 10-4 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,8 x 10-4 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 4,2 x 10-4 mol/liter | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 8,0 x 10-4 mol/liter | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 4,2 x 10-3 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 0,020 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 3,8 x 10-4 mol/liter | Air Tanpa Penyangga pH 5,68; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 361.35 | ||
| pKa | 8,27±0,10 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | -1,66±0,20 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,459±0,06 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
| Volume Molar | 247,5±3,0 cm3/mol | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 7 | (1) ACD | |
| Akseptor H | 9 | (1) ACD | |
| Donor H | 4 | (1) ACD | |
| H Jumlah Donor/Akseptor | 13 | (1) ACD | |
| catatan P | -0,212±0,585 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 361.35 |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Milik | Nilai | Kondisi Sumber |
| Luas Permukaan Kutub | 128 Halaman A2 | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
NMR 13C
![C21H21N3O6 Timidin, α – [(1-naftalenilmetil)amino]- α -okso- (ACI)](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine-300x300.png)
