![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) Aworan Afihan](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)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 641.75 | - |
| Oju Ise (Asọtẹlẹ) | 768,7 ± 60,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,237 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 14.50 ± 0.40 | Pupọ Epo otutu: 25 °C |
SILES 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
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=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-,321+m0
InChi Key
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Awọn orukọ miiran fun nkan yii
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)
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
| Gbona |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,00 x 106 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 7.70 x 105 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 8.29 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 8.289 ± 0.729 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 4,7 x 10-6 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-6 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 7.3 x 10-9 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 641.75 | ||
| pKa | 14.50 ± 0.40 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | -3.24± 0.60 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
| Oru Ipa | 7,42 x 10-25 Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,237 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 518,4 ± 3,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 12 | (1) ACD | |
| H Awọn olugba | 7 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 8 | (1) ACD | |
| logP | 8.289 ± 0.729 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 641.75 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 77.5 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami farabale | 768,7 ± 60,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 117,42 ± 3,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 418,7 ± 32,9 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
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