C17h25N5o7 Guanosine, 2'-O-(2-methoxyethyl)-(2-Methyl-1-OxoPropyl) - (9Ci, CI)
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 411.41 | - |
Melting taw tes (sim) | 137-139.2 ° C | - |
Ntom ntom (kwv yees) | 1.60 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 8.68 ± 0.20 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c1n = c (= o) c (c) NC2 = c1n = cn2c3oc (co) c3occoc
Isomeric luag os = c1c2 = c (n (n (n) h) (o)
Tus hauv onei
Inchi = 1s / C17h25N5o7 / C1-8 (2) 14 (10 (26-5-4 (6-23) 29-16 / h7-9,116,23- 24h, 4-6h2,1-3h3, (H2,19,2,25,26) / t9-, 11-, 16- / / m1 / s1
Inchi tus yuam sij
Izooogjiuohay-Ubedbupssa-n
1 Lwm lub npe rau cov khoom siv no
2'-o- (aws metoxyethyl) -n- (2-methyl-1-oxopropyl) guanosine (ACI)
Cov khoom muaj |
Thermal |
Thermal
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Melting point | 137-139.2 ° C | (1) CAS |
(1) Taj, shabbir ali s.; Nucleosides, nucleotides & nucleic acids, (2008), 27 (9 (10,2440-1033, caust
Spectra muaj
1h nmr
13C NMR
IR
Cov khoom muaj |
Kev muaj txuj Ci |
Tshuaj |
Ceev |
Ncauj lus di ncauj |
Cov qauv muaj feem xyuam |
Kev muaj txuj Ci
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.01 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 5.81 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 11.4 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 12.6 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 12.7 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 12.5 | pH 7; Temp: 25 ° C | (1) ACD |
Txhim hoom | 10.6 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 4.20 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
logd | 4.44 | PH 1; Temp: 25 ° C | (1) ACD |
logd | -1.60 | PHA 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 | p.c; 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 |
lub cim | -0.497 ± 0.633 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 0.58 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 49 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 7.0 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.2 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.62 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.58 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.58 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.58 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 0.70 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.7 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 10 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Loj solubility | 0.58 g / l | Unbuffered DEJ PH 5.98; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.4 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 0.12 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 0.017 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.0 x 10-3 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.5 x 10-3 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.4 x 10-3 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.4 x 10-3 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.4 x 10-3 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.7 x 10-3 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 4.2 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 0.025 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.4 x 10-3 mol / l | Unbuffered DEJ PH 5.98; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 411.41 | ||
pa kua muag | 8.68 ± 0.20 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | 3.05 ± 0.20 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Ceev | 1.60 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 256.2 ± 7.0 CM3 / Mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Dawb doatable bonds | 9 | (1) ACD | |
H neeg txais | 12 | (1) ACD | |
H pub dawb | 4 | (1) ACD | |
H pub dawb / txais nyiaj | 16 | (1) ACD | |
lub cim | -0.497 ± 0.633 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 411.41 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Polar Thaj Chaw Thaj Chaw | 157 A2 | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR