C44H49N5o7Si Adenosine, N-Benzoyl-5'-O- Ithoxyphenyl) Phenyhyyl) Dimethylsylesyl) - (9Ci, Aci)
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 787.98 | - |
Ntom ntom (kwv yees) | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
PKA (kwv yees) | 7.87 ± 0.43 | Feem ntau acidic temp: 25 ° C |
Canonical luag nyav
O = c (NC1 = NC = NC2 = c1n = CN2C3OC (CC = CC = CC = CCE (C) CC = 7) CC = CC
Isomeric luag
C (OC [C @O H] 1o [C @ H] ((C) (C) C (= o) c4 = cc = cc = cc = c.c) (C5 = CC = CC = CC = CC = CC = CC = C7
Tus hauv onei
InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(38)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-2 9) 26-54-44 (30-17-306-30,31-33 (52-5) 23-28,42,50,1-7H3, (h,
45,46,48,51) / T35-,, 38-, 32-5 / hli / hli
Inchi tus yuam sij
Dazigopasnjpcj-gnecsjiwssa-n
2 lwm lub npe rau cov khoom siv no
N-benzoyl-5'-o- [me (4-methoxyphenyl)-o - [((1,1-dimethylsyl) dimethylsylisl] adenosine (ACI); N6-Benzoyl-5'-O- (4,6'- dimethoxytrityl) -2'-o- (tert-butydimethylsylsl) Adenosine
Spectra muaj
1h nmr
Hetero Nmr
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 | 1.00 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 5.41 x 105 | 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 | 2.01 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 6.87 x 106 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 9.08 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 9.38 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 9.39 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 9.19 x 106 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 7.53 X 106 | pH 7; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 2.73 X 106 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 4.48 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.31 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
logd | 9.62 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 10.15 | PHA 2; Temp: 25 ° C | (1) ACD |
logd | 10.27 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 10.29 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 10.29 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 10.28 | p.c; Temp: 25 ° C | (1) ACD |
logd | 10.19 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 9.75 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 8.97 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 8.43 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | 10.291 ± 0.708 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 4.8 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.4 x 10-6 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.1 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.0 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.0 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.0 x 10-6 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.3 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 3.5 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 7.6 x 10-5 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.3 x 10-6 g / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.4 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 6.1 x 10-9 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.8 x 10-9 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.4 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.3 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Raug solubility | 1.3 x 10-9 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.6 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 4.5 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 2.8 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 9.6 x 10-8 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.6 x 10-9 mol / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 787.98 | ||
pa kua muag | 7.87 ± 0.43 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | 1.39 ± 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 | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
Cov pob zeb ntim | 639.5 ± 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 | 12 | (1) ACD | |
H pub dawb | 2 | (1) ACD | |
H pub dawb / txais nyiaj | 14 | (1) ACD | |
lub cim | 10.291 ± 0.708 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 787.98 |
(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 | 139 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