![C38H49NO7 1- Pyrrolidinedodecanoic Acid, 2- [BIS (4-metoxyphenyl) Phenylm Etoxy] methyl] -4-hîdroxy-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 Etxoy] methyl] -4-hîdroxy-λ oxo- (2s, 4r) - (ACI) Wêne](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic Acid, 2- [BIS (4-metoxyphenyl) Phenylm Etoxy] methyl] -4-hîdroxy-λ oxo-, (2s, 4r) - (ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 631.80 | - |
| Point Point (texmîn kirin) | 779.4 ± 60.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.154 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 4.78 ± 0.10 | Temana herî acid: 25 ° C |
Canonical Smiles O = c (O) CCCCCCCCCC (= o) CC1COC (C = 2C = cc = cc2) (c3 = cc = c (OC) C3) C4 = CC = C (OC) C4
Isomeric smiles c (oc [c @ h] 1n (c (CCCCCCCCCCCCCCCCCC (O) C) (C3 = cc = C
Inchi
Inchi = 1s / c38h49no7 / c1-44-34-23-34) 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) 16-12-6-8-13-17-37 (42) 43 / H9-40,14-15,40h, 3-8,12-13,16-17,26-13h2,1-2h3, (h, 42,43) / T32-, 33 + / M0 / S1
Keyeya Inchi
Ceyltmdxadtbel-jhousySjsa-n
1 navê din ji bo vê madeyê
(2s, 4r) -2 - [[Bis (4-metoxyphenyl) Phenylmethoxy] Methyl] -4-Hydroxy-λ-OXO-1-PyrrolidinedodeCanoic Acid (ACI)
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
| Thermal |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 2.46 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.46 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.42 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.11 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 92400 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 14000 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1510 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 192 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 58.6 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 45.3 | 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 | 2.52 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 2.51 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 2.47 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 2.16 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 94500 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 14300 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1550 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 196 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 59.9 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 46.3 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 7.40 | PH 1; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logd | 7.40 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.39 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.97 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.15 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 5.19 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.29 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.77 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.66 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.5 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.5 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.3 x 10-3 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.021 G / L | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.17 G / L | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.55 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.69 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-3 g / l | Wateriyayê Unbuffered PH 5.73; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 2.1 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.1 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.1 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.1 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.4 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.5 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.6 x 10-6 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.4 x 10-5 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.7 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 8.7 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 1.1 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.1 x 10-6 mol / l | Wateriyayê Unbuffered PH 5.73; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 631.80 | ||
| pka | 4.78 ± 0.10 | Temana herî acid: 25 ° C | (1) ACD |
| pka | -2.31 ± 0.60 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 1.42 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 | 1.154 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 547.3 ± 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 | 20 | (1) ACD | |
| H qebûlkar | 8 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qedexe | 10 | (1) ACD | |
| logp | 7.397 ± 0.598 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 631.80 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 106 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 | 779.4 ± 60.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 118.97 ± 3.0 KJ / Mol | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 425.2 ± 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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