C11H15N5O5 Guanosine, 2'-O-methyl- (7Cl, 8Cl, 9Cl, ACI)
CAS Registry Number
2140-71-8
| Key Physical Properties | Wearde | Betingst |
| Molekulêr gewicht | 297.27 | - |
| Smeltpunt (eksperiminteel) | 233-235 °C | Oplosmiddel: methanol |
| Tichtheid (foarsein) | 1,98±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (foarsein) | 9,64±0,20 | Meast soere Temp: 25 °C |
Canonical SMILES
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomere SMILES
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,(H3,12,14,15,19) /t4-,6-,7-,10-/m1/s1
InChI Key
OVYNGSFVYRPRCG-KQYNXXCUSA-N
1 Oare namme foar dizze stof
2′ -O- Methylguanosine (ACI)
Eigenskippen beskikber
Gemysk
Thermal
| Besit | Wearde Betingst | Boarne |
| pKa | 9.5 | (1) CAS |
(1) Bhamra, Inder; Nucleic Acid Research,
| Besit | Wearde | Betingst | Boarne |
| Smeltpunt | 233-235 °C | Oplosmiddel: methanol | (1) CAS |
(1) Kore, Anilkumar R.; Nukleosiden, nukleotiden en nukleïnesoeren,
Spectra beskikber
1H NMR
13C NMR
Mis
Eigenskippen beskikber
Biologysk
Gemysk
Tichtheid
Lipinski
Struktuer Related
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 10; Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Mass Intrinsic Solubility | 1,1 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 27 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,9 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,1 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massasolubiliteit | 1,1 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,1 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,1 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,1 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,3 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 3,6 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,1 g/L | Unbuffered wetter pH 6,17; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 3,6 x 10-3 mol/L | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,091 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,013 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 4,6 x 10-3 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,7 x 10-3 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,7 x 10-3 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,6 x 10-3 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,7 x 10-3 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,7 x 10-3 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 4,5 x 10-3 mol/l | pH 9; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,012 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,6 x 10-3 mol/L | Unbuffered wetter pH 6,17; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 297.27 | ||
| pKa | 9,64±0,20 | Meast soere Temp: 25 °C | (1) ACD |
| pKa | 2,42±0,10 | Meast Basic Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Tichtheid | 1,98±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molar Volume | 149,8±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)
| Besit | Wearde | Betingst Boarne |
| Frij draaibare obligaasjes | 5 | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| H Aksepteurs | 10 | (1) ACD | |
| H Donateurs | 5 | (1) ACD | |
| H Donor / Akseptor Sum | 15 | (1) ACD | |
| logP | -1.359±0.544 | Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 297.27 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst Boarne |
| Polar Surface Area | 144 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
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