C13H19N5O6 guanosine, 2 '-o- (2-methoxyethyl)-(9ci, ACI)
CAS -registernummer
473278-54-5
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 341.32 | - |
| Kookpunt (voorspeld) | 715,0 ± 70,0 ° C | Press: 760 Torr |
| Dichtheid (voorspeld) | 1,81 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 13,20 ± 0,70 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
O = C1N = C (N) NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC
Isomere glimlach
O (CCOC) [C@H] 1 [C @@ H] (O [C@H] (CO) [C@H] 1o) N2C3 = C (N = C2) C (= O) N = C (N) N3
Inchi
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, (H3, (H3, (H3, (H3, (H3, (H3, (H3, (H3, (H3, (H3, (H3, (H3, (H3), 14,16,17,21)/t6-, 8-, 9-, 12-/m1/s1
Inchi sleutel
Dllbjslikokfhe-uoukdfqisa-n
1 andere naam voor deze stof
2 ′ -O-(2-methoxyethyl) guanosine (ACI)
Eigenschappen beschikbaar
Optisch en verstrooiend
Thermisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Optisch rotatiekracht | -51 deg-ml/g-dm | C: 1,4 g/100 ml; Oplosmiddel: dichloormethaan; λ: 589,3 nm; Temp: 25 ° C | (1) CAS |
| Optisch rotatiekracht | Zie volledige tekst | (2) CAS |
(1) wen, ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, Caplus
(2) wen, ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, Caplus
| Eigendom | Waarde | Conditiebron |
| Smeltpunt | Zie volledige tekst | (1) CAS |
(1) Taj, Shabbir Ali S.; Nucleosiden, nucleotiden en nucleïnezuren, (2008), 27 (9), 1024-1033, caplus
Spectra beschikbaar
1 H NMR
13 c nmr
IR
Eigenschappen beschikbaar
Biologisch
Chemisch
Dikte
Lipinski
Structuur gerelateerd
Thermisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 4.27 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 8.49 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 9.43 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 9.54 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 9.55 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 9.55 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 9.55 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 9.54 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | -2.65 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | -1.84 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | -1.08 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.78 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.74 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | -0,730 ± 0,568 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 0,44 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 38 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5,5 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Massale oplosbaarheid | 0,96 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,48 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,44 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,44 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,44 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,44 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,44 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,44 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,44 g/l | Ongebufferde water pH 7,20; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 1,3 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,11 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,016 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,8 x 10-3 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-3 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-3 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-3 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-3 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-3 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-3 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-3 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-3 mol/l | Ongebufferde water pH 7,20; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 341.32 | ||
| pka | 13,20 ± 0,70 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 3,00 ± 0,20 | Meest basistemperatuur: 25 ° C | (1) ACD |
| Dampdruk | 1.86 x 10-21 TORR | Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Dikte | 1,81 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 188,5 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 8 | (1) ACD | |
| H ACCEPTORS | 11 | (1) ACD | |
| H Donoren | 5 | (1) ACD | |
| H Donor/Acceptor -som | 16 | (1) ACD | |
| logp | -0,730 ± 0,568 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 341.32 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 153 A2 | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Kookpunt | 715,0 ± 70,0 ° C | Press: 760 Torr | (1) ACD |
| Enthalpie van verdamping | 109,72 ± 3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flitspunt | 386,2 ± 35,7 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1H NMR
13c NMR
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