C17H25N5O7 Guanosine, 2′-O-(2-metoksyetyl)-N-(2-metyl-1-oksopropyl)- (9CI, A CI)
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 411.41 | - |
| Smeltpunt (eksperiminteel) | 137-139,2 °C | - |
| Dichtheid (foarsein) | 1,60 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 8.68±0.20 | Soerste temperatuer: 25 °C |
Kanonike SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomere SMILES O=C1C2=C(N(C=N2)[C@H]3[C@H](OCCOC)[C@H](O)[C@@H](CO)O3)NC(NC(C(C)C)=O)=N1
YnChI
InChI=1S/C17H25N5O7/c1-8(2)14(25)20-17-19-13-10(15(26)21-17)18 -7-22(13)16-12(28-5-4-27-3)11(24)9(6-23)29-16/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21,25,26)/t9-,11-,12-,16-/m1/s1
InChI-kaai
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Oare namme foar dizze stof
2′-O-(2-Metoksyetyl)-N-(2-metyl-1-oksopropyl)guanosine (ACI)
| Beskikbere eigenskippen |
| Termysk |
Termysk
| Besit | Wearde | Betingst | Boarne |
| Smeltpunt | 137-139,2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nukleosiden, Nukleotiden & Nukleïnezuren, (2008), 27(9), 1024-1033, CAplus
Spektra beskikber
1H NMR
13C NMR
IR
| Beskikbere eigenskippen |
| Biologysk |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | -2.44 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | -1.60 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | -0.84 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | -0.55 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | -0.50 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | -0.50 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | -0.51 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | -0.58 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | -0.98 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | -1.76 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | -0.497±0.633 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 0,58 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 49 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 7,0 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,2 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,62 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,58 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,58 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,58 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,70 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 10 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 0,58 g/L | Unbufferd wetter pH 5.98; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,4 x 10-3 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,12 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,017 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,0 x 10-3 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,5 x 10-3 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-3 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-3 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-3 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,7 x 10-3 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,2 x 10-3 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,025 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-3 mol/L | Unbufferd wetter pH 5.98; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 411.41 | ||
| pKa | 8.68±0.20 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3.05±0.20 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichtheid
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,60 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 256,2±7,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 9 | (1) ACD | |
| H-akseptors | 12 | (1) ACD | |
| H Donateurs | 4 | (1) ACD | |
| H Donor/Akseptor Som | 16 | (1) ACD | |
| logP | -0.497±0.633 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 411.41 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 157 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
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