C41H41n5o8 Adenosine, N-Benzoyl-5'-O- Ithoxyphenyl) Phenyrothyl)-(2-metoxyethyl) - (9Ci, Aci)
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 731.79 | - |
| Melting taw tes (sim) | 119-121 ° C | - |
| Ntom ntom (kwv yees) | 1.31 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 7.87 ± 0.43 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = NC1 = NC = NC2 = cnc = cc = cc = cc = cc = cc = cc = cc = cc) c = 7c = cc = cc)
Isomeric luag
C (OC [C @O H] 1O [C @ H] (OC) CC = CC = CC = CC = CC = CC = CC = CCE CC = C (OC) C
= C6) C7 = CC = CC = C7
Tus hauv onei
Inchi = 1s / C41H41n5o8 / c1-49-22-23-52-33 (44) 45-39 (48) 27-5-37-11-27) 24-53- 41 (28-12-8-5-13-28,29-14-18-31 (50-2) (5-26,33,4,4,4,4,4h2,1-3h3, (H, 42,45,48) / t33-,, 35-, 40- / m1 / s1
Inchi tus yuam sij
KevmxGDTKPSMC-Mumpvvmasa-N
16 Lwm lub npe rau cov khoom no
N-benzoyl-5 '-o- [Methoxyphenyl) Phenyrophyl)-aws-(2-methoxyethyl) Adenosine (ACI); 17: PN: US20030211606 Nplooj Ntawv: 19 thov ua ntu zus; 18: PN: US20040005569 Nplooj ntawv: 22 thov ua ntu zus; 20: PN: US20040006030 Nplooj ntawv: 23 Txais ua ntu zus; 20: PN: US200400400400140444 Nplooj: 21 Thov ua ntu zus; 20: PN: US2004004004001409 Nplooj ntawv: 21 thov ua ntu zus; 21: PN: US20040005570 PAG
E: 20 xyoo thov ua ntu zus; 21: PN: US20040040014048 Nplooj ntawv: 21 thov ua ntu zus; 21: PN: US20040040014050 Nplooj: 20 thov ua ntu zus; 22: PN: US20040005565 Nplooj Ntawv: 17- 22 thov ua ntu zus; 22: PN: USE US20040040014051 Nplooj ntawv: 23 Txais ua ntej; 23: PN: US20040 014699 Nplooj Ntawv: 20 thov ua ntu zus; 24: PN: US20040006029 Nplooj: 23 Nplooj ntawv: 23 Cov ntawv thov ua ntu zus; 24: Pn: Wo03106645 Nplooj: 73 thov ua ntu zus; 5'-dimethoxytrityl-2'-o- (met- metoxyethyl)-benzoyl adenosine; 95: PN: US20040005707 Nplooj Ntawv: 20 thov ua ntu zus
| Cov khoom muaj |
| Thermal |
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Melting taw tes | 119-121 ° C | (1) CAS | |
(1) Penjarla, Srichylam; Nucleosides, nucleotides & nucleic acids, (2018), 37 (4), 232-247, CAPPUS
Spectra muaj
1h nmr
13C 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 | 31700 | PH 1; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.08 x 105 | PHA 2; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.43 X 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.48 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.48 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.45 x 105 | p.c; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 1.19 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 43000 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 7050 | PH 9; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Bioconclivration qhov tseem ceeb | 2060 | 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 | 37400 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.28 x 105 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.69 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.74 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.74 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.71 x 105 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 1.40 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 50700 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 8320 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 2430 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 6.44 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 6.97 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | 7.09 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.11 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.11 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.10 | p.c; Temp: 25 ° C | (1) ACD |
| logd | 7.01 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.57 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 5.78 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 5.25 | pH 10; Temp: 25 ° C | (1) ACD |
| lub cim | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 5.6 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 2.6 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 7.3 x 10-6 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.8 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.6 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.6 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.7 x 10-6 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 7.0 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Loj solubility | 1.9 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.2 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.0 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Loj solubility | 7.0 x 10-6 g / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 7.6 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 3.6 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.0 x 10-8 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.9 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.7 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.7 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.8 x 10-9 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 9.6 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.6 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Raug solubility | 5.5 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 9.5 x 10-9 mol / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 731.79 | ||
| 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 | 1.31 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 556.9 ± 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 | 15 | (1) ACD | |
| H neeg txais | 13 | (1) ACD | |
| H pub dawb | 2 | (1) ACD | |
| H pub dawb / txais nyiaj | 15 | (1) ACD | |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| lub cim | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 731.79 |
(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 | 148 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
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