C41H39No6 1-pyrrolidinecarboxylic acid, 2 - [methhofm etylen-9-Ylmethyl Ester, (2s, 4r) - (9 ci, ACI)
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 641.75 | - |
| Boiling taw tes (kwv yees) | 768.7 ± 60.0 ° C | XOVXWM: 760 Torr |
| Ntom ntom (kwv yees) | 1.237 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 14.50 ± 0.40 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c (occ1c = 2c = 3c = 3c = cc = cc = cc = cc = cc = cc = cc = c (ec) c = c7
Isomeric smiles c (OC [B @ H] 1n (CCE2C = CC = CC = CC = CC = CC = CC = CC = CC = CC = C7
Tus hauv onei
Inchi = 1s / c41h39No6 / C1-45-33-23-33-33-33-33-24-32-32 (43) 25-42 (31) (31) (1) 44) 47-27-39-37-14-8-6-12-35 (37) 36-13,3,31,31,h3 / t31-, 322 / s1
Inchi tus yuam sij
Qpxskgjjumjqebdwes-ajqtzopksa-n
2 lwm lub npe rau cov khoom siv no
1-pyrrolidinecarboxylic acid, 2 - [methoxypheny) methyl)-hydrothees-, 9s-trans-9-trans) - (ZCI); 9H-fluoren-9-Ylmethyl (2s, 4r) -2 - [methoxyphenyl) phelloxy-1-pyrroxy-1-pyrrolidinecarboxylate (aci)
| Cov khoom muaj |
| Kev muaj txuj Ci |
| Tshuaj |
| Ceev |
| Ncauj lus di ncauj |
| Cov qauv muaj feem xyuam |
| Thermal |
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 | 1.00 x 106 | 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 | 7.70 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 7.70 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| logd | 8.29 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | p.c; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | pH 10; Temp: 25 ° C | (1) ACD |
| lub cim | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 4.7 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Loj solubility | 4.7 x 10-6 g / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 7.3 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Raug solubility | 7.3 x 10-9 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 7.3 x 10-9 mol / l | Unbuffered dej pH 7.00; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 641.75 | ||
| pa kua muag | 14.50 ± 0.40 | Feem ntau acidic temp: 25 ° C | (1) ACD |
| pa kua muag | -3.24 ± 0.60 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
| Vapor siab | 7.42 x 10-25 torr | 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 | 1.237 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 518.4 ± 3.0 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 | 12 | (1) ACD | |
| H neeg txais | 7 | (1) ACD | |
| H pub dawb | 1 | (1) ACD | |
| H pub dawb / txais nyiaj | 8 | (1) ACD | |
| lub cim | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 641.75 |
(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 | 77.5 A2 | (1) ACD | |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Kub taw tes | 768.7 ± 60.0 ° C | XOVXWM: 760 Torr | (1) ACD |
| Enthalpy ntawm vaporization | 117.42 ± 3.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
| Flash point | 418.7 ± 32.9 ° C | (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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