![C41H39NO6 1-PyrrolidineCarBoxylic Acid, 2 - [[Bis (4-Methoxyphenyl) Phenylm Etxe], 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 Etxe]](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-PyrrolidineCarBoxylic Acid, 2 - [[Bis (4-Methoxyphenyl) Phenylm Etxe], 9h-Fluoren-9-Ylmethyl Ester, (2s, 4r) - (9 ci, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 641.75 | - |
| Point Point (texmîn kirin) | 768.7 ± 60.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.237 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 14.50 ± 0.40 | Temana herî acid: 25 ° C |
Smiles Canonical O = C (ok1c = 2c = cc = CC2C = 3C (C = 5c = cc = cc5) (c6 = cc = c = c6) C7 = CC = C (OC) C7
Isomeric smiles c (oc [c @ h] 1n (c = 4c2 = 3c (c5 = cc = c = c5) (c6 = cc = c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1s / c41h39no6 / c1-16-33-20-16-29 (17-10-43) 41 (28-10-4-30-18-22-34 (46-30) 48-19-31-24-32 (43) 25-42 (31) 40 ( 44) 47-27-8-6-12-14-8-9-13-13-7-9-15-38 (36) 39 / H3-23,31-32,39,43h, 24-27h2,1-2h3 / T31-, 32 + / M0 / S1
Keyeya Inchi
QPxSKGjqebdwes-AjqtzOpKSA-N
2 navên din ên ji bo vê madeyê
1-PyrrolidineCarBoxylic Acid, 2 - [[Bis (4-Methoxyphenyl) Phenylmethoxy] Methyl] -4-Hydroxy-, 9H-Fluoren-9-Ylmethyl Ester, (2s-trans); 9h-Fluoren-9-ylmethyl (2s, 4r) -2 - [[Bis (4-metoxyphenyl) Phenylmethoxy]] Methyl] -4-Hydroxy-1-PyrrolidineCarBoxylate (ACI)
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
| Thermal |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1.00 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 7.70 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 7.70 x 105 | PH 10; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logd | 8.29 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 8.29 | PH 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 | PH 6; 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 |
| logp | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 4.7 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.7 x 10-6 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 7.3 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 7.3 x 10-9 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.3 x 10-9 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 641.75 | ||
| pka | 14.50 ± 0.40 | Temana herî acid: 25 ° C | (1) ACD |
| pka | -3.24 ± 0.60 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 7.42 x 10-25 Torr | Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.237 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 518.4 ± 3.0 cm3 / mol | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 12 | (1) ACD | |
| H qebûlkar | 7 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qedexe | 8 | (1) ACD | |
| logp | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 641.75 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 77.5 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Mal | Giranî | Rewş | Kanî |
| Xala zirav | 768.7 ± 60.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 117.42 ± 3.0 Kj / Mol | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 418.7 ± 32.9 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
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