C30h29FN2O7 uridine, 5'-o- (4-methoxyphenyl) Phenyrothyl) -2'-Doxy-2'- Fluoro- (9CI, Aci)
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 548.56 | - |
| Melting taw tes (sim) | 118-120 ° C | - |
| Ntom ntom (kwv yees) | 1.38 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 9.39 ± 0.10 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c1c = cn (c) n1) CC = CC = CC = CC = CC = CC = C (CC) C5) C5)
Isomeric smiles c (oc [b @ h] 1o [h] ((c) cc = c3) (CC)
Tus hauv onei
Inchi = 1s / C30h29FN2O7 / C1-37-22-12-8-23 (38-2) 15 (35) 26 (40-24) 33
-17-16-25 (34) 32-29 (33) 36 / h3-17,24,45h, 18,14,36) / 26-, 27- / / m1 / s1
Inchi tus yuam sij
Cssfzsszxocjb-yuloidqlsa-n
1 Lwm lub npe rau cov khoom siv no
5 '-O- [BIS (4-methoxyphenyl) penylmethyl] -2'-deoxy-2'-fluorouridine (ACI)
Cov khoom muaj
Thermal
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Melting taw tes | 118-120 ° 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 | 3580 | PH 1; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 3580 | PHA 2; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 3580 | PH 3; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 3580 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 3580 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 3580 | p.c; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 3570 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 3430 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 2500 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 689 | 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 | 12200 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 12200 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 12200 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 12200 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 12200 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 12200 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 12100 | pH 7; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 11700 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 8480 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 2340 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | p.c; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.96 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.82 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.26 | pH 10; Temp: 25 ° C | (1) ACD |
| lub cim | 4.979 ± 0.563 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 9.9 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Loj solubility | 9.9 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 1.4 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 5.0 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Loj solubility | 9.9 x 10-5 g / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Raug solubility | 2.5 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Raug solubility | 9.2 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.8 x 10-7 mol / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 548.56 | ||
| pa kua muag | 9.39 ± 0.10 | Feem ntau acidic temp: 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 | 1.38 ± 0.1 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 395.8 ± 5.0 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 | 10 | (1) ACD | |
| H neeg txais | 9 | (1) ACD | |
| H pub dawb | 2 | (1) ACD | |
| H pub dawb / txais nyiaj | 11 | (1) ACD | |
| lub cim | 4.979 ± 0.563 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 548.56 |
(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 | 107 A2 A2 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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