C13H19N5O6 Guanosine, 2'-O-(2-methoxyethyl)- (9CI, ACI)
CAS Registry Number
473278-54-5
| Key Fysike Eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 341.32 | - |
| Kookpunt (foarsein) | 715,0±70,0 °C | Druk: 760 Torr |
| Tichtheid (foarsein) | 1,81±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (foarsein) | 13,20±0,70 | Meast soere Temp: 25 °C |
Canonical SMILES
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomere SMILES
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,(H3,14,16,17,21)/t6-,8-,9- ,12-/m1/s1
InChI Key
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Oare namme foar dizze stof
2′ -O-(2-Methoxyethyl)guanosine (ACI)
Eigenskippen beskikber
Optysk en ferstruit
Thermal
| Besit | Wearde | Betingst | Boarne |
| Optical Rotatory Power | -51 deg-mL/g-dm | c: 1,4 g/100ml; Oplosmiddel: Dichloromethane; λ: 589,3 nm; Temp: 25 °C | (1) CAS |
| Optical Rotatory Power | Sjoch folsleine 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
| Besit | Wearde | Betingst Boarne |
| Smeltpunt | Sjoch folsleine tekst | (1) CAS |
(1) Taj, Shabbir Ali S.; Nucleosiden, Nucleotides & Nucleic Acids, (2008), 27(9), 1024-1033, CAplus
Spectra beskikber
1H NMR
13C NMR
IR
Eigenskippen beskikber
Biologysk
Gemysk
Tichtheid
Lipinski
Struktuer Related
Thermal
| 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 |
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6; Temp: 25 °C | (1) ACD |
| 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 | 1.0 | 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 |
| Mass yntrinsike oplosberens | 0,44 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 38 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,5 g/l | pH 2; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massasolubiliteit | 0,96 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,48 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,44 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,44 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,44 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,44 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,44 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,44 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,44 g/L | Unbuffered wetter pH 7,20; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,3 x 10-3 mol/L | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,11 mol/l | pH 1; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,016 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 2,8 x 10-3 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-3 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | Unbuffered wetter pH 7,20; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 341.32 | ||
| pKa | 13,20±0,70 | Meast soere Temp: 25 °C | (1) ACD |
| pKa | 3,00±0,20 | Meast Basic Temp: 25 °C | (1) ACD |
| Dampdruk | 1,86 x 10-21 Torr | 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 | 1,81±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molar Volume | 188,5±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 | 8 | (1) ACD | |
| H Aksepteurs | 11 | (1) ACD | |
| H Donateurs | 5 | (1) ACD | |
| H Donor / Akseptor Sum | 16 | (1) ACD | |
| logP | -0.730±0.568 | Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 341.32 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst Boarne |
| Polar Surface Area | 153 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Kookpunt | 715,0±70,0 °C | Druk: 760 Torr | (1) ACD |
| Entalpy fan ferdamping | 109,72±3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flash Point | 386,2±35,7 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
![C10H12N2O5 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://www.csnvchem.com/uploads/C10H12N2O5-6H-Furo-300x300.jpg)
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