C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2 - [(9H-fluoren-9-ylmethoxy) karubone] - (9CI, ACI)

ibicuruzwa

C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2 - [(9H-fluoren-9-ylmethoxy) karubone] - (9CI, ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 397.43 -
Ingingo yo guteka (Biteganijwe) 671.5 ± 55.0 ° C. Kanda: 760 Torr
Ubucucike (Biteganijwe) 1.316 ± 0.06 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr
pKa (Byahanuwe) 3.84 ± 0.21 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) O) CCCNC (= O) N

SMILES Isomeric C (OC (N [C @@ H] (CCCNC (N) = O) C (O) = O) = O) C1C = 2C (C = 3C1 = CC = CC3) = CC = CC2

InChI

InChI = 1S / C21H23N3O5 / c22-20 (27) 23-11-5-10-18 (19 (25) 26) 24-21 (28) 29-12-17-15-8-3-1-6- 13 (15) 14-7-2-4-9-16 (14) 17 / h1-4,6-9,17-18H, 5,10-12H2, (H, 24,28) (H, 25, 26) (H3,22,23,27) / t18- / m0 / s1

InChI Urufunguzo

NBMSMZSRTIOFOK-SFHVURJKSA-N

6 Andi mazina kuriyi ngingo

N5- (Aminocarbonyl) -N2 - [(9)H-fluoren-9-ylmethoxy) karubone] -L-ornithine (ACI); (2S) -5- (Carbamoylamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) aside pentanoic; (2S) -5- (Carbamoylamino) -2 - ([[(9)H-fluoren-9-yl) imikorerexy] karubone] amino) aside pentanoic; 218: PN: U S20070042401 URUPAPURO: 29 isaba poroteyine; 909: PN: WO2006135786 URUPAPURO: 59 byavuzwe na poroteyine; Fmoc-L-Citrulline

Ikigereranyo

Spectra irahari
1H NMR
13C NMR
Misa

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
Ubushyuhe

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 54.3 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 52.8 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 40.0 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 11.7 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.45 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 10; Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 606 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Koc 589 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Koc 446 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Koc 130 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Koc 16.2 pH 5; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 1.76 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.0 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.0 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.0 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.0 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logD 2.59 pH 1; Ubushyuhe: 25 ° C. (1) ACD
logD 2.57 pH 2; Ubushyuhe: 25 ° C. (1) ACD
logD 2.45 pH 3; Ubushyuhe: 25 ° C. (1) ACD
logD 1.92 pH 4; Ubushyuhe: 25 ° C. (1) ACD
logD 1.01 pH 5; Ubushyuhe: 25 ° C. (1) ACD
logD 0.05 pH 6; Ubushyuhe: 25 ° C. (1) ACD
logD -0.76 pH 7; Ubushyuhe: 25 ° C. (1) ACD
logD -1.10 pH 8; Ubushyuhe: 25 ° C. (1) ACD
logD -1.15 pH 9; Ubushyuhe: 25 ° C. (1) ACD
logD -1.16 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logP 2.591 ± 0.426 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 4.8 x 10-3 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.8 x 10-3 g / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.2 x 10-3 g / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 6.8 x 10-3 g / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.023 g / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.18 g / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.7 g / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 11 g / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 23 g / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 27 g / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 27 g / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.032 g / L. Amazi adafite amazi pH 4.18; Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 1.2 x 10-5 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.2 x 10-5 mol / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.3 x 10-5 mol / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.7 x 10-5 mol / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 5.7 x 10-5 mol / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.6 x 10-4 mol / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.2 x 10-3 mol / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.027 mol / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.059 mol / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.067 mol / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.068 mol / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.0 x 10-5 mol / L. Amazi adafite amazi pH 4.18; Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 397.43    
pKa 3.84 ± 0.21 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa -0.21 ± 0.70 Ubushyuhe bwibanze: 25 ° C. (1) ACD
Umuvuduko w'umwuka 6.01 x 10-19 Torr Ubushyuhe: 25 ° C. (1) ACD

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Ubucucike

Umutungo Agaciro Imiterere Inkomoko
Ubucucike 1.316 ± 0.06 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr (1) ACD
Umubumbe wa Molar 301.8 ± 3.0 cm3 / mol Ubushyuhe: 20 ° C; Kanda: 760 Torr (1) ACD

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Lipinski

Umutungo Agaciro Imiterere Inkomoko
Impapuro zishobora guhinduka 9   (1) ACD
H Abakira 8   (1) ACD
H Abaterankunga 5   (1) ACD
H Abaterankunga / Abemera Sum 13   (1) ACD
logP 2.591 ± 0.426 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 397.43    

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Imiterere ijyanye

Umutungo Agaciro

Imiterere

Inkomoko
Ubuso bwa polarike 131 A2 (1) ACD

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Ubushyuhe

Umutungo Agaciro Imiterere Inkomoko
Ingingo 671.5 ± 55.0 ° C. Kanda: 760 Torr (1) ACD
Umwuka wo guhumeka 103.64 ± 3.0 kJ / mol Kanda: 760 Torr (1) ACD
Flash point 359.9 ± 31.5 ° C.   (1) ACD

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Ibiteganijwe

Spectra irahari
1H NMR
13C NMR

Amakuru agenga

Urutonde rugenzura: IECSC, TCSI, VNECI Amakuru Yubucuruzi Yibanga: Rusange

Amagambo asobanura
Fmoc-L-2-amino-5-ureido-n-valeric aside IECSC

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L-Ornithine, N5- (aminocarbonyl) -N2 - [(9H-fluoren-9-ylmethoxy) karubone] - TCSI, VNECI

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Ibisobanuro byigihugu / Mpuzamahanga & Izindi Urutonde Igihugu / Akarere Amakuru araboneka

Incamake y'Ubushinwa

Ibarurishamibare kuri IECSC

Ibarura ryibintu bya chimique biriho mubushinwa Urutonde rwamazina (s): Fmoc-L-2-amino-5-ureido-n-valeric aside

Tayiwani Incamake

Ibarurishamibare ku Igazeti ya Guverinoma ya Tayiwani

Vietnam Nam Incamake

Ibarurishamibare kuri VNECI

Vietnam Umushinga wibarura ryimiti yigihugu


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