C33H39N5O6 L-Ornithinamide, N - [((9H-fluoren-9-ylmethoxy) karuboni]

Amakuru y'ibanze:

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Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	601.69	-
Ingingo yo guteka (Biteganijwe)	914.2 ± 65.0 ° C.	Kanda: 760 Torr
Ubucucike (Biteganijwe)	1.276 ± 0.06 g / cm3	Ubushyuhe: 20 ° C; Kanda: 760 Torr
pKa (Byahanuwe)	10.63 ± 0.46	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) NC (C (= O) NC4 = CC = C (C = C4) CO) CCCNC (= O ) N) C (C) C.
SMILES Isomeric C (OC (N [C @ H] (C (N [C @ H] (C (NC1 = CC = C (CO) C = C1) = O) CCCNC (N) = O) = O) [ C @ H] (C) C) = O) C2C = 3C (C = 4C2 = CC = CC4) = CC = CC3
InChI
InChI = 1S / C33H39N5O6 / c1-20 (2) 29 (38-33 (43) 44-19-27-25-10-5-3-8-23 (25) 24-9-4-6-11- 26 (24) 27) 31 (41) 37-28 (12-7-17-35- 32 (34) 42) 30 (40) 36-22-15-13-21 (18-39) 14-16- 22 / h3-6,8-11,13-16,20,27-29,39H, 7,12,17-19H2,1-2H3, (H, 36,40) (H, 37,41) (H , 38,43) (H3,34,3
5,42) / t28-, 29- / m0 / s1
InChI Urufunguzo
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Irindi zina kuriyi ngingo
N - [((9H-Fluoren-9-ylmethoxy) karubone] -L-valyl-N5- (aminocarbonyl) -N-

Ikigereranyo

Spectra irahari
1H NMR
13C NMR

Ibintu Byateganijwe

Ibyiza birahari

Ibinyabuzima

Imiti

Ubucucike

Lipinski

Imiterere ijyanye

Ubushyuhe

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	809	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	912	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	923	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	924	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	924	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	924	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	924	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	922	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	903	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	750	pH 10; Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	4040	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Koc	4550	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Koc	4610	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Koc	4620	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Koc	4620	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Koc	4620	pH 6; Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	4620	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Koc	4610	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Koc	4510	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Koc	3740	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.15	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.20	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.20	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.20	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.21	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.21	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.20	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.20	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.19	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
logD	4.11	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
logP	4.206 ± 0.767	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	1.7 x 10-4 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.0 x 10-4 g / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	2.1 x 10-4 g / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	1.7 x 10-4 g / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	2.9 x 10-7 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.3 x 10-7 mol / L.	pH 1; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	pH 2; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	pH 3; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	pH 4; Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	2.9 x 10-7 mol / L.	pH 5; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	pH 6; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	pH 7; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	pH 8; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	pH 9; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	3.5 x 10-7 mol / L.	pH 10; Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.9 x 10-7 mol / L.	Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	601.69
pKa	10.63 ± 0.46	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	0.13 ± 0.50	Ubushyuhe bwibanze: 25 ° C.	(1) ACD
Umuvuduko w'umwuka	0 Torr	Ubushyuhe: 25 ° C.	(1) ACD

Ubucucike

Umutungo	Agaciro	Imiterere	Inkomoko
Ubucucike	1.276 ± 0.06 g / cm3	Ubushyuhe: 20 ° C; Kanda: 760 Torr	(1) ACD
Umubumbe wa Molar	471.2 ± 3.0 cm3 / mol	Ubushyuhe: 20 ° C; Kanda: 760 Torr	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	15		(1) ACD
H Abakira	11		(1) ACD
H Abaterankunga	7		(1) ACD
H Abaterankunga / Abemera Sum	18		(1) ACD
logP	4.206 ± 0.767	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	601.69

Imiterere ijyanye

Umutungo	Agaciro	Imiterere	Inkomoko
Ubuso bwa polarike	172 A2	(1) ACD

Ubushyuhe

Umutungo	Agaciro	Imiterere	Inkomoko
Ingingo	914.2 ± 65.0 ° C.	Kanda: 760 Torr	(1) ACD
Umwuka wo guhumeka	139.25 ± 3.0 kJ / mol	Kanda: 760 Torr	(1) ACD
Flash point	506.7 ± 34.3 ° C.		(1) ACD