C11H15N5O5 guanosine, 2 '-o-methyl- (7ci, 8ci, 9ci, ACI)
CAS -registernummer
2140-71-8
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 297.27 | - |
| Smeltpunt (experimenteel) | 233-235 ° C | Oplosmiddel: methanol |
| Dichtheid (voorspeld) | 1,98 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 9,64 ± 0,20 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
O = C1N = C (N) NC2 = C1N = CN2C3OC (CO) C (O) C3OC
Isomere glimlach
O (C) [C@H] 1 [C@H] (N2C3 = C (N = C2) C (= O) N = C (N) N3) O [C@H] (CO) [C@H] 1O
Inchi
Inchi = 1S/C11H15N5O5/C1-20-7-6 (18) 4 (2-17) 21-10 (7) 16-3-13-5-8 (16) 14-11 (12) 15-9 (5) 19/H3-4,6-7,10,17-18h, 2H2,1h3, (H3,12,14,14,15,15,15) /T4-, 6-, 7-, 10-/M1/S1
Inchi sleutel
Ovyngsfvyrprcg-kqynxxcusa-n
1 andere naam voor deze stof
2 ′ -O-Methylguanosine (ACI)
Eigenschappen beschikbaar
Chemisch
Thermisch
| Eigendom | Waardestaat | Bron |
| pka | 9.5 | (1) CAS |
(1) Bhamra, inder; Nucleïnezuren onderzoek,
| Eigendom | Waarde | Voorwaarde | Bron |
| Smeltpunt | 233-235 ° C | Oplosmiddel: methanol | (1) CAS |
(1) Kore, Anilkumar R.; Nucleosiden, nucleotiden en nucleïnezuren,
Spectra beschikbaar
1 H NMR
13 c nmr
Massa
Eigenschappen beschikbaar
Biologisch
Chemisch
Dikte
Lipinski
Structuur gerelateerd
| 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 |
| Bioconcentratiefactor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| 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 | 1.19 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 3.42 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 4.23 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 4.33 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 4.34 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 4.33 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 4.24 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 3.48 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 1.28 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | -2.76 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | -1.92 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | -1.46 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | -1.37 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -1.36 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -1.36 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -1.36 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -1.37 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | -1.45 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.89 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | -1.359 ± 0,544 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 1.1 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 27 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.9 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Massale oplosbaarheid | 1.1 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.3 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.6 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 g/l | Ongebufferde water pH 6,17; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 3.6 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,091 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,013 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,6 x 10-3 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.7 x 10-3 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.7 x 10-3 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.6 x 10-3 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.7 x 10-3 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.7 x 10-3 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4.5 x 10-3 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,012 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.6 x 10-3 mol/l | Ongebufferde water pH 6,17; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 297.27 | ||
| pka | 9,64 ± 0,20 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 2,42 ± 0,10 | Meest basistemperatuur: 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 | 1,98 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 149,8 ± 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 | Conditiebron |
| Vrij roteerbare bindingen | 5 | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| H ACCEPTORS | 10 | (1) ACD | |
| H Donoren | 5 | (1) ACD | |
| H Donor/Acceptor -som | 15 | (1) ACD | |
| logp | -1.359 ± 0,544 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 297.27 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 144 A2 | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1 H NMR
13 c nmr
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