C17H25N5o7 Guanosine, 2'-o- (2-methoxyethyl) -N- (2-methyl-1-oxopropyl) - (9CI, A CI)
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 411.41 | - |
| Melting Point (eksperiminteel) | 137-139.2 ° C | - |
| Tichtheid (foarsizze) | 1.60 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 8,68 ± 0.20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3occoc
Isomeric 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
Inchi
Inchi = 1s / c17h25o7 / c1-8 (2) 14 (25) 20-17-13-10 (15 (26) 21-17) 18-7-22 (13) 16-12 (28-5 (28-5) 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-âlderbupssa-n
1 oare namme foar dizze substansje
2'-o- (2-methoxyethyl) -N- (2-methyl-1-oxopropyl) guanosine (aci)
| Eigenskippen beskikber |
| Thermal |
Thermal
| Besit | Wearde | Betingst | Boarne |
| Melting Point | 137-139.2 ° C | (1) CAS | |
(1) Taj, Shabbir Ali S .; Nucleosides, nukleotiden en nukleïne soeren, (2008), 27 (9), 1024-1033, Caplus
Spectra te krijen
1h nmr
13C NMR
IR
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| 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 |
| 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)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.01 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 5,81 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 11.4 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 12.6 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 12.7 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 12.5 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 10.6 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 4.20 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | -2.44 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | -1,60 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | -0.84 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | -0.55 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | -0.50 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | -0.50 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | -0.51 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | -0.58 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | -0.98 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | -1.76 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | -0.497 ± 0.633 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 0,58 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 49 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 7.0 G / L | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.2 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.62 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,58 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,58 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,58 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,70 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,7 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 10 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 0,58 g / l | Unbuffered water pH 5.98; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1,4 x 10-3 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.12 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0.017 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.0 x 10-3 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-3 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,4 x 10-3 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,4 x 10-3 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,4 x 10-3 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,7 x 10-3 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.2 x 10-3 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 0,025 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,4 x 10-3 Mol / L | Unbuffered water pH 5.98; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 411.41 | ||
| pka | 8,68 ± 0.20 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3,05 ± 0,20 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1.60 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 256.2 ± 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)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 9 | (1) ACD | |
| H akseptearders | 12 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / akseptearje SUM | 16 | (1) ACD | |
| Logp | -0.497 ± 0.633 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 411.41 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 157 a2 | (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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