C11H15N5O4 Adenosin, 2′-O-metil- (7CI, 8CI, 9CI, ACI)
Nomer Registry CAS
2140-79-6
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 281.27 | - |
| Titik Lebur (Eksperimental) | 204-206 °C | - |
| Titik didih (diprediksi) | 623,8±65,0 °C | Pencet: 760 Torr |
| Kapadhetan (Prediksi) | 1,84±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 13.13±0.70 | Suhu Paling Asam: 25 °C |
SMILES kanonik
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O
Isomerik SMILES
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
IngChI
IngChI= 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/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
Kunci Inchi
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Jeneng Liyane kanggo Zat iki
2'-O-Methyladenosine (ACI); Cordysinin B
Properti kasedhiya
Thermal
| Properti | Nilai | Sumber Kondisi |
| Titik Lebur | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saul; Jurnal Kimia Organik Eropa, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus
Spectra kasedhiya
1 H NMR
13 C NMR
IR
Massa
Properti kasedhiya
biologi
Kimia
Kapadhetan
Lipinski
Struktur Gegandhengan
Thermal
| Properti | Nilai | kahanan | 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 | 1.78 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.97 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.99 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.99 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.99 | pH 9; Suhu: 25 °C | (1) ACD |
| Sumber Kahanan Nilai Properti |
| Faktor Biokonsentrasi 1,99 pH 10; Suhu: 25 °C (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | 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 |
| Kelarutan Intrinsik Massa | 3,7 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 886 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 309 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 45 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 7,9 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,9 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,7 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,7 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan massa | 3,7 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,7 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,7 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,7 g/L | Banyu Unbuffered pH 8,07; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 0,013 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,15 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,10 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,16 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,028 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,014 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,013 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,013 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,013 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,013 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,013 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,013 mol/L | Banyu Unbuffered pH 8,07; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 281.27 | ||
| pKa | 13.13±0.70 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan uap | 2,02 x 10-16 Torr | Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,84±0,1 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 152,5±7,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Obligasi sing bisa diputer kanthi bebas | 5 | (1) ACD |
| H. Akseptor | 9 | (1) ACD |
| H. Donor | 4 | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| H Jumlah Donor / Akseptor | 13 | (1) ACD | |
| logP | 0,697±0,596 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 281.27 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Area lumahing kutub | 129 A2 | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Titik didih | 623,8±65,0 °C | Pencet: 760 Torr | (1) ACD |
| Entalpi Penguapan | 97,11±3,0 kJ/mol | Pencet: 760 Torr | (1) ACD |
| Titik Flash | 331,0±34,3 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1 H NMR
13 C NMR
| Kode | Pranyatan Bebaya | Sumber |
| H303 | Bisa mbebayani yen ditelan | Expert Curated |
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