C11H15N5O4 Adenosin, 2′ -O-metil- (7CI, 8CI, 9CI, ACI)
Nombor Pendaftaran CAS
2140-79-6
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 281.27 | - |
| Takat Lebur (Eksperimen) | 204-206 °C | - |
| Takat Didih (Diramalkan) | 623.8±65.0 °C | Tekan: 760 Torr |
| Ketumpatan (Diramalkan) | 1.84±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 13.13±0.70 | Suhu Paling Berasid: 25 °C |
SENYUM Canonical
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O
SENYUMAN Isomerik
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
InChI
InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13- 3-14-10(6)16/j3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
Kunci InChI
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Nama Lain untuk Bahan ini
2′-O-Methyladenosine (ACI); Cordysinin B
Hartanah tersedia
terma
| Harta benda | Nilai | Sumber Keadaan |
| Takat Lebur | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saul; Jurnal Kimia Organik Eropah, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus
Spectra tersedia
1 H NMR
13 C NMR
IR
Mass
Hartanah tersedia
Biologi
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 | 1.78 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.97 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.99 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.99 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.99 | pH 9; Suhu: 25 °C | (1) ACD |
| Sumber Keadaan Nilai Harta |
| Faktor Kepekatan Bio 1.99 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 | 4.54 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 26.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 51.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 56.4 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 57.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 57.1 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 57.1 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 57.0 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -1.70 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -1.25 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -0.40 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 0.36 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 0.65 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 0.69 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 0.70 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 0.70 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 0.70 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 0.70 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 0.697±0.596 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 3.7 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 886 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 309 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 45 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 7.9 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.9 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.7 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.7 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Jisim | 3.7 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.7 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.7 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.7 g/L | Air Tidak Penampan pH 8.07; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 0.013 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.15 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.10 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.16 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.028 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.014 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| 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 8.07; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 281.27 | ||
| pKa | 13.13±0.70 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan Wap | 2.02 x 10-16 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 | 1.84±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 152.5±7.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | Sumber Keadaan |
| Bon Boleh Putar Bebas | 5 | (1) ACD |
| H Penerima | 9 | (1) ACD |
| H Penderma | 4 | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| H Jumlah Penderma/Penerima | 13 | (1) ACD | |
| logP | 0.697±0.596 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 281.27 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | Sumber Keadaan |
| Kawasan Permukaan Kutub | 129 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 | 623.8±65.0 °C | Tekan: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 97.11±3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik Kilat | 331.0±34.3 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1 H NMR
13 C NMR
| Kod | Kenyataan Bahaya | Sumber |
| H303 | Boleh memudaratkan jika tertelan | Diurus Pakar |
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