![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S,4R) - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S, 4R) - (ACI) Aworan Afihan](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S,4R) - (ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 631.80 | - |
| Oju Ise (Asọtẹlẹ) | 779,4 ± 60,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,154 ± 0,06 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 4.78± 0.10 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomeric SMILES C(OC[C@H]1N(C(CCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3) = CC=C(OC)C=C3)C4=CC=CC=C4
InChi
InChi=1S/C38H49NO7/c1-44-34-22-18-30(19-23-34)38(29-14-10-9-11-15-29,31-20-24-35(45-) 2)25-21-31)46-28-32-26-33(40)27-39(32) 36(41)16-12-7-5-3-4-6-8-13-17- 37(42)43/h9-11,14-15,18-25,32-33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43 ) /t32-,33+/m0/s1
InChi Key
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Oruko miiran fun nkan yii
(2S,4R) -2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl] -4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
| Gbona |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 2.46 x 105 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.46 x 105 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2,42 x 105 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.11 x 105 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 92400 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 14000 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1510 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 192 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 58.6 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 45.3 | 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 | 2.52 x 105 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2,47 x 105 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 94500 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 14300 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1550 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 196 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.40 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 7.40 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.39 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.33 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.97 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.15 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.19 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.29 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.77 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.66 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 7.397 ± 0.598 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,3 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-4 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-4 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-4 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,5 x 10-4 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-4 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.3 x 10-3 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.021 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.17 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.55 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.69 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-3 g/L | Omi ti a ko fi silẹ pH 5.73;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 2.1 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-7 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.4 x 10-7 mol/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.6 x 10-6 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.4 x 10-5 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.7 x 10-4 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 8.7 x 10-4 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 1.1 x 10-3 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-6 mol/L | Omi ti a ko fi silẹ pH 5.73;Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 631.80 | ||
| pKa | 4.78± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | -2.31 ± 0.60 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
| Oru Ipa | 1,42 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 | 1,154 ± 0,06 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 547,3 ± 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 | 20 | (1) ACD | |
| H Awọn olugba | 8 | (1) ACD | |
| H Awọn oluranlọwọ | 2 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 10 | (1) ACD | |
| logP | 7.397 ± 0.598 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 631.80 |
(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 | 106 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 | 779,4 ± 60,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 118,97 ± 3,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 425,2 ± 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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