C13H19N5O6 Guanosine, 2′-O-(2-methoxyethyl)- (9CI, ACI)
Nomer Registry CAS
473278-54-5
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 341.32 | - |
| Titik didih (diprediksi) | 715,0±70,0 °C | Pencet: 760 Torr |
| Kapadhetan (Prediksi) | 1,81±0,1 g/cm3 | Suhu: 20 °C;Pencet: 760 Torr |
| pKa (Prediksi) | 13.20±0.70 | Suhu Paling Asam: 25 °C |
SMILES kanonik
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomerik SMILES
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N) N3
IngChI
InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9- ,12-/m1/s1
Kunci Inchi
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Jeneng Liyane kanggo Zat iki
2'-O-(2-Methoxyethyl)guanosine (ACI)
Properti kasedhiya
Optik lan Scattering
Thermal
| Properti | Nilai | kahanan | Sumber |
| Daya Rotatory Optik | -51 deg-mL/g-dm | c: 1,4 g/100ml;Pelarut: Diklorometana;λ: 589,3 nm;Suhu: 25 °C | (1) CAS |
| Daya Rotatory Optik | Waca Teks Lengkap | (2) CAS |
(1) Wen, Ke;Jurnal Kimia Organik, (2002), 67(22), 7887-7889, CAplus
(2) Wen, Ke;Jurnal Kimia Organik, (2002), 67(22), 7887-7889, CAplus
| Properti | Nilai | Sumber Kondisi |
| Titik Lebur | Waca Teks Lengkap | (1) CAS |
(1) Taj, Shabbir Ali S.;Nukleosida, Nukleotida & Asam Nukleat, (2008), 27(9), 1024-1033, CAplus
Spectra kasedhiya
1 H NMR
13 C NMR
IR
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 |
| Properti | Nilai | kahanan | Sumber |
| 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) 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 | 4.27 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 8.49 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 9.43 | pH 5;Suhu: 25 °C | (1) ACD |
| Koc | 9.54 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 9.55 | pH 7;Suhu: 25 °C | (1) ACD |
| Koc | 9.55 | pH 8;Suhu: 25 °C | (1) ACD |
| Koc | 9.55 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 9.54 | pH 10;Suhu: 25 °C | (1) ACD |
| logD | -2.65 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | -1.84 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | -1.08 | pH 3;Suhu: 25 °C | (1) ACD |
| logD | -0.78 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | -0.74 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | -0,730±0,568 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 0,44 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 38 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,5 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan massa | 0,96 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,48 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,44 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,44 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,44 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,44 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,44 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,44 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,44 g/L | Banyu Unbuffered pH 7,20;Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,3 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,11 mol/L | pH 1;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,016 mol/L | pH 2;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,8 x 10-3 mol/L | pH 3;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,4 x 10-3 mol/L | pH 4;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-3 mol/L | pH 5;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-3 mol/L | pH 6;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-3 mol/L | pH 7;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-3 mol/L | pH 8;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-3 mol/L | pH 9;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-3 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-3 mol/L | Banyu Unbuffered pH 7,20;Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 341.32 | ||
| pKa | 13.20±0.70 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3.00±0.20 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan uap | 1,86 x 10-21 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 | 1,81±0,1 g/cm3 | Suhu: 20 °C;Pencet: 760 Torr | (1) ACD |
| Volume Molar | 188,5±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 | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 8 | (1) ACD | |
| H. Akseptor | 11 | (1) ACD | |
| H. Donor | 5 | (1) ACD | |
| H Jumlah Donor / Akseptor | 16 | (1) ACD | |
| logP | -0,730±0,568 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 341.32 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Area lumahing kutub | 153 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 | 715,0±70,0 °C | Pencet: 760 Torr | (1) ACD |
| Entalpi Penguapan | 109,72±3,0 kJ/mol | Pencet: 760 Torr | (1) ACD |
| Titik Flash | 386,2±35,7 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
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