C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 367.36 | - |
| Dichtheid (foarsein) | 1,68 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 9.16±0.20 | Soerste temperatuer: 25 °C |
Kanonike SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomere SMILES O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[C@H](CO)[C@H]1O
YnChI
InChI=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3)9(22)7(4-21)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
InChI-kaai
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Oare nammen foar dizze stof
2′-O-Metyl-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosine
Spektra beskikber
1H NMR
13C NMR
Mis
| 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 | 2.12 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 12.5 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 0,55 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,5 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,84 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,59 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,55 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,55 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,55 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,55 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,59 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,96 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,55 g/L | Unbufferd wetter pH 6.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,5 x 10-3 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 9,6 x 10-3 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,3 x 10-3 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 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 | 1,5 x 10-3 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 1,5 x 10-3 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,5 x 10-3 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-3 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,6 x 10-3 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,012 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,5 x 10-3 mol/L | Unbufferd wetter pH 6.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 367.36 | ||
| pKa | 9.16±0.20 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 1,73 ± 0,10 | 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 | 1,68 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 217,6 ± 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 | 6 | (1) ACD | |
| H-akseptors | 11 | (1) ACD | |
| H Donateurs | 4 | (1) ACD | |
| H Donor/Akseptor Som | 15 | (1) ACD | |
| logP | -0.464±0.636 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 367.36 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 147 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
Spektra beskikber
13C NMR
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