![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) Whakaaturanga Whakaaturanga](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)
| Nga Ahuatanga Tinana Matua | Uara | Tikanga |
| Taumaha rāpoi | 641.75 | - |
| Ira Kohua (I Matapaetia) | 768.7±60.0 °C | Perehi: 760 Torr |
| Kiato (I Matapaetia) | 1.237±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
| pKa (I matapaetia) | 14.50±0.40 | Te Mahana Waiwawa Nui: 25 °C |
Nga Ataata Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7
NGĀ MAHI Isomerik 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
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
Kī InChI
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Ētahi atu Ingoa mō tēnei Matū
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)
| Nga rawa e waatea ana |
| Koiora |
| Te matū |
| Kiato |
| Lipinski |
| Hanganga e Pa ana |
| Ngawha |
Koiora
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 1; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 2; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 3; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 4; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 5; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 6; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 7; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 8; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 9; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.00 x 106 | pH 10; Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
| Taonga | Uara | Tikanga | Puna |
| Koc | 7.70 x 105 | pH 1; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Te Mahana: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| rangitakiD | 8.29 | pH 1; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 2; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 3; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 4; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 5; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 6; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 7; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 8; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 9; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 8.29 | pH 10; Te Mahana: 25 °C | (1) ACD |
| rangitakiP | 8.289±0.729 | Te Mahana: 25 °C | (1) ACD |
| Te Wairewa o roto | 4.7 x 10-6 g/L | Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 1; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 2; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 3; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 4; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 5; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 6; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 7; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 8; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 9; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | pH 10; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 4.7 x 10-6 g/L | Te Wai Whakakore pH 7.00; Te Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 7.3 x 10-9 mol/L | Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 1; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 2; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 3; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 4; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 5; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 6; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 7; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 8; Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 9; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 10; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | Te Wai Whakakore pH 7.00; Te Mahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 641.75 | ||
| pKa | 14.50±0.40 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Te Mahana Matua: 25 °C | (1) ACD |
| Pehenga Kohu | 7.42 x 10-25 Torr | Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
| Taonga | Uara | Tikanga | Puna |
| Kiato | 1.237±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
| Rōrahi Moara | 518.4±3.0 cm3/mol | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Taonga | Uara | Tikanga | Puna |
| Nga here e taea te huri noa | 12 | (1) ACD | |
| H Nga Kaiwhiwhi | 7 | (1) ACD | |
| H Nga Kaituku | 1 | (1) ACD | |
| H Kaikoha/Kaiwhina moni | 8 | (1) ACD | |
| rangitakiP | 8.289±0.729 | Te Mahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 641.75 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
| Taonga | Uara | Tikanga | Puna |
| Rohe Mata Polar | 77.5 A2 | (1) ACD | |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Ngawha
| Taonga | Uara | Tikanga | Puna |
| Kohuatanga | 768.7±60.0 °C | Perehi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 117.42±3.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
| Tohu Kohiko | 418.7±32.9 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR
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