C13h19n5o6 Guanosine, 2 '-o- Methoxyethyl) - (9ci, ACI)
CAS Registry Number
473278-54-5
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 341.32 | - |
| Siedend punt (foarsizze) | 715.0 ± 70,0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 1,81 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 13,20 ± 0,70 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
O = c1n = c (n) nc2 = c1n = cn2c3oc (co) c (o) c3occoc
Isomeryske glimkes
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 / c1-22-2-23-23-3-23-3 (20) 6 (4-19-15-7-10 (9) 18 (14) 17-11 (7) 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-kaai
Dllbjslikokfhe-woukdfqisa-n
1 oare namme foar dizze substansje
2 '-O- (2-methoxyethyl) guanosine (aci)
Eigenskippen beskikber
Optysk en fersprieding
Thermal
| Besit | Wearde | Betingst | Boarne |
| Optyske rottende krêft | -51 Deg-ML / G-DM | c: 1,4 g / 100ml; Solvent: dichloromethane; λ: 589.3 nm; Temp: 25 ° C | (1) CAS |
| Optyske rottende krêft | 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 |
| Melting Point | Sjoch folsleine tekst | (1) CAS |
(1) Taj, Shabbir Ali S .; Nucleosides, nukleotiden en nukleïne soeren, (2008), 27 (9), 1024-1033, Caplus
Spectra te krijen
1 h nmr
13 C NMR
IR
Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
Thermal
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (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 |
| Massa intrinsike oplosmiddel | 0.44 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 38 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5.5 G / L | pH 2; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 0,96 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,48 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.44 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.44 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.44 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.44 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.44 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.44 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.44 g / l | Unbuffered wetter pH 7.20; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1.3 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.11 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.016 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,8 x 10-3 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,4 x 10-3 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-3 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-3 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-3 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-3 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-3 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-3 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 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 Acidic 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 avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1,81 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 188.5 ± 7,0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 8 | (1) ACD | |
| H akseptearders | 11 | (1) ACD | |
| H Donors | 5 | (1) ACD | |
| H Donor / akseptearje SUM | 16 | (1) ACD | |
| Logp | -0.730 ± 0.568 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 341.32 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 153 A2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 715.0 ± 70,0 ° C | Parse: 760 Torr | (1) ACD |
| Enthalpy fan Vaporization | 109.72 ± 3.0 kj / mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 386.2 ± 35,7 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR
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