C38H49NO7 1- Acide ya Pyrrolidinedodecanoic, 2- [
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 631.80 | - |
| Ingingo yo guteka (Biteganijwe) | 779.4 ± 60.0 ° C. | Kanda: 760 Torr |
| Ubucucike (Biteganijwe) | 1.154 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C;Kanda: 760 Torr |
| pKa (Byahanuwe) | 4.78 ± 0.10 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical O = C (O) CCCCCCCCCCC (= O) N1CC (O) CC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4
SMILES Isomeric C (OC [C @ H] 1N (C (CCCCCCCCCCC (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 Urufunguzo
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Irindi zina kuriyi ngingo
(2S, 4R) -2 - [[Bis.
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
| Ubushyuhe |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 2.46 x 105 | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.46 x 105 | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.42 x 105 | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.11 x 105 | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 92400 | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 14000 | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1510 | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 192 | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 58.6 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 45.3 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 2.52 x 105 | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2.51 x 105 | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2.47 x 105 | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 2.16 x 105 | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 94500 | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 14300 | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1550 | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 196 | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 59.9 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 46.3 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.40 | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| logD | 7.40 | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.39 | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 7.33 | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.97 | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 6.15 | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 5.19 | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 4.29 | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 3.77 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 3.66 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 7.397 ± 0.598 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 1.3 x 10-4 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-4 g / L. | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-4 g / L. | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-4 g / L. | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.5 x 10-4 g / L. | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 3.5 x 10-4 g / L. | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.3 x 10-3 g / L. | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.021 g / L. | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.17 g / L. | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.55 g / L. | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0,69 g / L. | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.3 x 10-3 g / L. | Amazi adafite ingufu pH 5.73;Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 2.1 x 10-7 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.1 x 10-7 mol / L. | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.1 x 10-7 mol / L. | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.1 x 10-7 mol / L. | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.4 x 10-7 mol / L. | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 5.5 x 10-7 mol / L. | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.6 x 10-6 mol / L. | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.4 x 10-5 mol / L. | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.7 x 10-4 mol / L. | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 8.7 x 10-4 mol / L. | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 1.1 x 10-3 mol / L. | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.1 x 10-6 mol / L. | Amazi adafite ingufu pH 5.73;Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 631.80 | ||
| pKa | 4.78 ± 0.10 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | -2.31 ± 0.60 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
| Umuvuduko w'umwuka | 1.42 x 10-25 Torr | Ubushyuhe: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.154 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C;Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 547.3 ± 3.0 cm3 / mol | Ubushyuhe: 20 ° C;Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 20 | (1) ACD | |
| H Abakira | 8 | (1) ACD | |
| H Abaterankunga | 2 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 10 | (1) ACD | |
| logP | 7.397 ± 0.598 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 631.80 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 106 A2 | (1) ACD | |
.
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo | 779.4 ± 60.0 ° C. | Kanda: 760 Torr | (1) ACD |
| Umwuka wo guhumeka | 118.97 ± 3.0 kJ / mol | Kanda: 760 Torr | (1) ACD |
| Flash point | 425.2 ± 32.9 ° C. | (1) ACD |
.
Spectra irahari
1H NMR
13C NMR
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