C41H5o8Si Guanosine, 5'-O- Au - MethoxyylSyl) DownylSylsl]-(1-oxoproyl) - (9Ci, Aci)
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 769.96 | - |
Ntom ntom (kwv yees) | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 9.16 ± 0.20 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c1n = c (= o) NC2 = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c3) c3o (c) (c)
Isomeric luag
C (OC [C @O H] 1o [C @ H] ([C @ H] (C) C) (C) 1) 1 = O) n = c (nc (c) = o) N3) (C5 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC =
Tus hauv onei
Inchi = 1s / C41H5o8Si / C1-25 (28) 44 (49) 44) 33 (47) 31 (53-38) 23-52-41 (2 6-13-13-11-10-12-12-154-26,9 (50-6) 20-18-233-34,47, 23h2,4,44,45,
48,49) / t31-, 33-, 34-, 38-5- / M1 / S1
Inchi tus yuam sij
JMCNKJFOIJFOIJYRG-CJEGOSRCSA-N
1 Lwm lub npe rau cov khoom siv no
5 '-o- (4-methoxyphenyl) phenymethyl)-aws - [(1,1-dimethylsyl]-(2-altyl-1-oxopropyl) guanosine (ACI)
Spectra muaj
1h nmr
13C NMR
Qho hnyav
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 | 1.38 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3.53 X 105 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 4.18 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 4.26 X 105 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 4.26 X 105 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 4.26 X 105 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 4.21 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 3.77 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.86 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 33800 | 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 | 1.21 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 3.08 x 105 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 3.65 X 105 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 3.72 X 105 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 3.73 X 105 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 3.72 X 105 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 3.68 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 3.30 X 105 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.62 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 29600 | pH 10; Temp: 25 ° C | (1) ACD |
logd | 7.22 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.63 | PHA 2; Temp: 25 ° C | (1) ACD |
logd | 7.70 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 7.71 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 7.71 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 7.71 | p.c; Temp: 25 ° C | (1) ACD |
logd | 7.70 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 7.66 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.35 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.61 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 2.7 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 8.5 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 3.3 x 10-5 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.8 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.7 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.7 x 10-5 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.8 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 3.1 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 6.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 3.5 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.8 x 10-5 g / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 3.5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 4.3 X 10-8 Mol / L | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.6 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.5 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Raug solubility | 3.5 x 10-8 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.6 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 4.0 X 10-8 Mol / L | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 8.1 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 4.5 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.6 x 10-8 mol / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 769.96 | ||
pa kua muag | 9.16 ± 0.20 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | 1.73 ± 0.10 | 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 | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 615.5 ± 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 | 14 | (1) ACD | |
H neeg txais | 13 | (1) ACD | |
H pub dawb | 3 | (1) ACD | |
H pub dawb / txais nyiaj | 16 | (1) ACD | |
lub cim | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 769.96 |
(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 | 155 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