C38H49NO7 1- Acide ya Pyrrolidinedodecanoic, 2- [

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C38H49NO7 1- Acide ya Pyrrolidinedodecanoic, 2- [

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Ibicuruzwa

Imiterere yumubiri

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.

Andi mazina nibiranga

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.

Ibintu Byateganijwe

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

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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

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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

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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    

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Imiterere ijyanye

Umutungo Agaciro

Imiterere

Inkomoko
Ubuso bwa polarike 106 A2 (1) ACD

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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

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Ibiteganijwe

Spectra irahari
1H NMR
13C NMR


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