![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[bis (4-methoxyphenyl) phenylm ethoxy]methyl] -4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R) - (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[bis (4-methoxyphenyl) phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R) - (9 CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[bis (4-methoxyphenyl) phenylm ethoxy]methyl] -4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R) - (9 CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 641.75 | - |
| Wurin tafasa (An annabta) | 768.7± 60.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.237± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 14.50± 0.40 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) N4CC (O) CC4COC (C = 5C = CC = CC5) (C6 = CC = C
Isomeric SMILES C (OC [C @ H] 1N (C (OCC2C=3C(C=4C2=CC=CC4)=CC=CC3=O)C[C @H](O)C1)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=C
InChi
InChi=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5- 11-28,30-18-22-34(46-2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44)47-27-39-37-14-8-6-12-35(37)36-13-7-9-15-38(36)39/h3-23,31-32,39,43H,24-27H2,1-2H3/t31-,32+/m
InChi Key
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Wasu Sunaye na wannan Abu
1-Pyrrolidinecarboxylic acid, 2-[bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans) - (ZCI); 9H-Fluoren-9-ylmethyl (2S,4R) -2- [[bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1.00 x 106 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 7.70 x 105 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| logD | 8.29 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.29 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 8.289± 0.729 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 4.7 x 10-6 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | Ruwan da ba a buguwa pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 7.3 x 10-9 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.3 x 10-9 mol/L | Ruwan da ba a buguwa pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 641.75 | ||
| pKa | 14.50± 0.40 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | -3.24±0.60 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
| Ruwan Ruwa | 7.42 x 10-25 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.237± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 518.4± 3.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 12 | (1) ACD | |
| H Masu karɓa | 7 | (1) ACD | |
| H Masu Ba da taimako | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 8 | (1) ACD | |
| logP | 8.289± 0.729 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 641.75 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 77.5 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Wurin Tafasa | 768.7± 60.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 117.42± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 418.7± 32.9 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
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