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C20H23N5O6 Adenosine, N-benzoyl-2′-O- (2-mikorerexyethyl) - (9CI, ACI)

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C20H23N5O6 Adenosine, N-benzoyl-2′-O- (2-mikorerexyethyl) - (9CI, ACI) Ishusho Yerekanwe
  • C20H23N5O6 Adenosine, N-benzoyl-2′-O- (2-mikorerexyethyl) - (9CI, ACI)

C20H23N5O6 Adenosine, N-benzoyl-2′-O- (2-mikorerexyethyl) - (9CI, ACI)

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Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 429.43 -
Ubucucike (Biteganijwe) 1.53 ± 0.1 g / cm3 Ubushyuhe: 20 ° C;Kanda: 760 Torr
pKa (Byahanuwe) 13.15 ± 0.70 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC) C = 4C = CC = CC4
Isomeric SMILES O (CCOC) [C @ H] 1 [C @@ H] (O [C @ H] (CO) [C @ H] 1O) N2C = 3C (N = C2) = C (NC (= O ) C4 = CC = CC = C4) N = CN3
InChI
InChI = 1S / C20H23N5O6 / c1-29-7-8-30-16-15 (27) 13 (9-26) 31-20 (16) 25-11-23-14-17 (21-10-22- 18 (14) 25) 24-19 (28) 12-5-3-2-4-6-12 / h2-6,1 0-11,13,15-16,20,26-27H, 7-9H2 , 1H3, (H, 21,22,24,28) / t13-, 15-, 16-, 20- / m1 / s1
InChI Urufunguzo
RUFJMCSVNNGZFB-KHTYJDQRSA-N
2 Andi mazina kuriyi ngingo
N-Benzoyl-2′-O- (2-mikorerexyethyl) adenosine (ACI);N6-Benzoyl-2′-O- (2-mikorerexyethyl) adenosine

Ikigereranyo

Spectra irahari
1H NMR
13C NMR

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 3.71 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 14.6 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 20.9 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 21.8 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 21.9 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 21.8 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 21.4 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 17.6 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 6.52 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.08 pH 10;Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 53.2 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Koc 210 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Koc 299 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Koc 312 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Koc 314 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Koc 313 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Koc 306 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Koc 253 pH 8;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 93.5 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Koc 15.5 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logD 1.30 pH 1;Ubushyuhe: 25 ° C. (1) ACD
logD 1.90 pH 2;Ubushyuhe: 25 ° C. (1) ACD
logD 2.05 pH 3;Ubushyuhe: 25 ° C. (1) ACD
logD 2.07 pH 4;Ubushyuhe: 25 ° C. (1) ACD
logD 2.07 pH 5;Ubushyuhe: 25 ° C. (1) ACD
logD 2.07 pH 6;Ubushyuhe: 25 ° C. (1) ACD
logD 2.06 pH 7;Ubushyuhe: 25 ° C. (1) ACD
logD 1.98 pH 8;Ubushyuhe: 25 ° C. (1) ACD
logD 1.54 pH 9;Ubushyuhe: 25 ° C. (1) ACD
logD 0.76 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logP 2.085 ± 0.689 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 0.030 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.17 g / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.0429 g / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.030 g / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.029 g / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.029 g / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.029 g / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.029 g / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.036 g / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.094 g / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0,60 g / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.029 g / L. Amazi adafite ingufu pH 6.38;Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 7.0 x 10-5 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.9 x 10-4 mol / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.00 x 10-4 mol / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.0 x 10-5 mol / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.7 x 10-5 mol / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.7 x 10-5 mol / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.7 x 10-5 mol / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 6.8 x 10-5 mol / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 8.3 x 10-5 mol / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.2 x 10-4 mol / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.4 x 10-3 mol / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.7 x 10-5 mol / L. Amazi adafite ingufu pH 6.38;Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 429.43    
pKa 13.15 ± 0.70 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa 8.80 ± 0.10 Ubushyuhe bwibanze: 25 ° C. (1) ACD

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Ubucucike

Umutungo Agaciro Imiterere Inkomoko
Ubucucike 1.53 ± 0.1 g / cm3 Ubushyuhe: 20 ° C;Kanda: 760 Torr (1) ACD
Umubumbe wa Molar 280.3 ± 7.0 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 11   (1) ACD
H Abaterankunga 3   (1) ACD
H Abaterankunga / Abemera Sum 14   (1) ACD
logP 2.085 ± 0.689 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 429.43    

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Imiterere ijyanye

Umutungo Agaciro

Imiterere

 Inkomoko
Ubuso bwa polarike 141 A2 (1) ACD

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Ibiteganijwe

Spectra irahari
1H NMR
13C NMR

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