C41H39NO6 1-Acide ya Pyrrolidinecarboxylic, 2 - [

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C41H39NO6 1-Acide ya Pyrrolidinecarboxylic, 2 - [

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Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 641.75 -
Ingingo yo guteka (Biteganijwe) 768.7 ± 60.0 ° C. Kanda: 760 Torr
Ubucucike (Biteganijwe) 1.237 ± 0.06 g / cm3 Ubushyuhe: 20 ° C;Kanda: 760 Torr
pKa (Byahanuwe) 14.50 ± 0.40 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa 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
SMILES Isomeric 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 = C7
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 + / m0 / s1
InChI Urufunguzo
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Andi mazina kuriyi ngingo
1-Acide ya Pyrrolidinecarboxylic, 2 - [9H-Fluoren-9-ylmethyl (2S, 4R) -2 - [[bis.

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
Ubushyuhe

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 1.00 x 106 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 10;Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 7.70 x 105 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.70 x 105 pH 10;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
logD 8.29 pH 1;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 2;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 3;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 4;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 5;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 6;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 7;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 8;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 9;Ubushyuhe: 25 ° C. (1) ACD
logD 8.29 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logP 8.289 ± 0.729 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 4.7 x 10-6 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 x 10-6 g / L. Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 7.3 x 10-9 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 7.3 x 10-9 mol / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.3 x 10-9 mol / L. Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 641.75    
pKa 14.50 ± 0.40 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa -3.24 ± 0.60 Ubushyuhe bwibanze: 25 ° C. (1) ACD
Umuvuduko w'umwuka 7.42 x 10-25 Torr Ubushyuhe: 25 ° C. (1) ACD

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Ubucucike

Umutungo Agaciro Imiterere Inkomoko
Ubucucike 1.237 ± 0.06 g / cm3 Ubushyuhe: 20 ° C;Kanda: 760 Torr (1) ACD
Umubumbe wa Molar 518.4 ± 3.0 cm3 / mol Ubushyuhe: 20 ° C;Kanda: 760 Torr (1) ACD

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Lipinski

Umutungo Agaciro Imiterere Inkomoko
Impapuro zishobora guhinduka 12   (1) ACD
H Abakira 7   (1) ACD
H Abaterankunga 1   (1) ACD
H Abaterankunga / Abemera Sum 8   (1) ACD
logP 8.289 ± 0.729 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 641.75    

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Imiterere ijyanye

Umutungo Agaciro

Imiterere

Inkomoko
Ubuso bwa polarike 77.5 A2 (1) ACD

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Ubushyuhe

Umutungo Agaciro Imiterere Inkomoko
Ingingo 768.7 ± 60.0 ° C. Kanda: 760 Torr (1) ACD
Umwuka wo guhumeka 117.42 ± 3.0 kJ / mol Kanda: 760 Torr (1) ACD
Flash point 418.7 ± 32.9 ° C.   (1) ACD

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Ibiteganijwe

Spectra irahari
1H NMR
13C NMR


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