C42H39N3O8 Ntabwo Yashizweho

Amakuru y'ibanze:

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Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	713.78	-
Ubucucike (Biteganijwe)	1.315 ± 0.06 g / cm3	Ubushyuhe: 20 ° C; Kanda: 760 Torr
pKa (Byahanuwe)	8.23 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C1NC (= O) N (C = C1C (= O) NCC2 = CC = CC = 3C = CC = CC32) C4OC (COC (C = 5C = CC = CC5) (C6 = CC = C (OC) ) C = C6) C7 = CC = C (OC) C = C7) C (O) C4
Isomeric SMILES
C (OC [C @ H] 1O [C @ H] (C [C @@ H] 1O) N2C = C (C (NCC = 3C4 = C (C = CC3) C = CC = C4) = O) C (= O) NC2 = O) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C 7 = CC = CC = C7
InChI
InChI = 1S / C42H39N3O8 / c1-50-32-19-15-30 (16-20-32) 42 (29-12-4-3-5-13-29,31-17-21-33 (51- 2) 22-18-31) 52-26-37-36 (46) 23-38 (53-37) 4 5-25-35 (40 (48) 44-41 (45) 49) 39 (47) 43 -24-28-11-8-10-27-9-6-7-14-34 (27) 28 / h3-22,25,36-38,46H, 23-24,26H2,1-2H3, ( H, 43,47) (H, 44,48,49) / t36-, 37 +, 38 + / m0 / s1
InChI Urufunguzo
HDUMRQQRYJOBFS-YXWIYCFASA-N

Ibintu Byateganijwe

Ibyiza birahari

Ibinyabuzima

Ibyiza birahari

Imiti

Ubucucike

Lipinski

Imiterere ijyanye

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	41700	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	41700	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	41700	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	41700	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	41700	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	41200	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	36900	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	18100	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	3290	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	718	pH 10; Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	70600	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Koc	70600	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Koc	70600	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Koc	70600	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Koc	70500	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Koc	69700	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Koc	62400	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Koc	30600	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Koc	5560	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Koc	1210	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.38	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.38	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.38	pH 3; Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
logD	6.38	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.38	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.38	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.33	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
logD	6.02	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
logD	5.28	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.62	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
logP	6.382 ± 0.644	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	5.1 x 10-7 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-7 g / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-7 g / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-7 g / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-7 g / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-7 g / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.1 x 10-7 g / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.7 x 10-7 g / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.1 x 10-6 g / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	6.4 x 10-6 g / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.9 x 10-5 g / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	5.7 x 10-7 g / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	7.1 x 10-10 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.1 x 10-10 mol / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.1 x 10-10 mol / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.1 x 10-10 mol / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.1 x 10-10 mol / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.1 x 10-10 mol / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	7.2 x 10-10 mol / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	8.0 x 10-10 mol / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	1.6 x 10-9 mol / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	9.0 x 10-9 mol / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	4.1 x 10-8 mol / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	8.0 x 10-10 mol / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Uburemere bwa molekile	713.78
pKa	8.23 ± 0.10	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	-1.90 ± 0.20	Ubushyuhe bwibanze: 25 ° C.	(1) ACD

Ubucucike

Umutungo	Agaciro	Imiterere	Inkomoko
Ubucucike	1.315 ± 0.06 g / cm3	Ubushyuhe: 20 ° C; Kanda: 760 Torr	(1) ACD
Umubumbe wa Molar	542.7 ± 3.0 cm3 / mol	Ubushyuhe: 20 ° C; Kanda: 760 Torr	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	13		(1) ACD
H Abakira	11		(1) ACD
H Abaterankunga	3		(1) ACD
H Abaterankunga / Abemera Sum	14		(1) ACD
logP	6.382 ± 0.644	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	713.78