C13H19N5O5 Adenosin, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Nombor Pendaftaran CAS
168427-74-5
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 325.32 | - |
| Takat Didih (Diramalkan) | 639.0±65.0 °C | Tekan: 760 Torr |
| Ketumpatan (Diramalkan) | 1.70±0.1 g/cm3 | Suhu: 20 °C; Tekan: 760 Torr |
| pKa (Diramalkan) | 13.12±0.70 | Suhu Paling Berasid: 25 °C |
SENYUM Canonical
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
SENYUMAN Isomerik
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5- 16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
Kunci InChI
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Nama Lain untuk Bahan ini
2′-O-(2-Methoxyethyl)adenosine (ACI)
Spektrum tersedia
1 H NMR
13 C NMR
Hartanah tersedia
Biologi
bahan kimia
Ketumpatan
Lipinski
Berkaitan Struktur
terma
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.18 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.31 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.32 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.32 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.32 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.32 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 42.5 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -1.94 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -0.64 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 0.12 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 0.41 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 0.46 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 0.46 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 0.46 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 0.46 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 0.46 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 4.2 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 999 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 381 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 55 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 9.4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.9 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 g/L | Air Tidak Penampan pH 8.08; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 0.013 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.07 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.17 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.17 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.029 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.015 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 0.013 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.013 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.013 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.013 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.013 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.013 mol/L | Air Tidak Penampan pH 8.08; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 325.32 | ||
| pKa | 13.12±0.70 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan Wap | 3.35 x 10-17 Torr | Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.70±0.1 g/cm3 | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
| Isipadu Molar | 191.2±7.0 cm3/mol | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 8 | (1) ACD | |
| H Penerima | 10 | (1) ACD | |
| H Penderma | 4 | (1) ACD | |
| H Jumlah Penderma/Penerima | 14 | (1) ACD | |
| logP | 0.462±0.647 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 325.32 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | Sumber Keadaan |
| Kawasan Permukaan Kutub | 138 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Takat Didih | 639.0±65.0 °C | Tekan: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 99.17±3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik Kilat | 340.2±34.3 °C | (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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