C45H56N7O9P Guanosine, 5 ′ -O- (1-methylethyl) phosphoramidite] (ACI)

ibicuruzwa

C45H56N7O9P Guanosine, 5 ′ -O- (1-methylethyl) phosphoramidite] (ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

150780-67-9

H303

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 869.94 -
pKa (Byahanuwe) 9.16 ± 0.20 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

N # CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) NC32) C1OC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) N (C (C) C) C (C) C

Isomeric SMILES

C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC # N) [C @@ H] (OC) [C @@ H] (O1) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6

InChI

InChI = 1S / C45H56N7O9P / c1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24-)

46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-10-12-15-31,32-16-20-34 ( 55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33 / h10-12,14-23,27 -30,36,38-39,43H, 13, 25-26H2,1-9H3, (H2,48,49,50,53,54) / t36-, 38-, 39-, 43-, 62? / M1 / ​​s1

InChI Urufunguzo

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Irindi zina kuriyi ngingo

Guanosine, 5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O-methyl-N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)

Ikigereranyo

Spectra irahari
13 C NMR
Hetero NMR

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 183 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 3890 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 35500 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.08 x 105 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.36 x 105 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.39 x 105 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.38 x 105 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.24 x 105 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 63600 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 11900 pH 10;Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 220 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Koc 4680 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Koc 42600 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.30 x 105 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.63 x 105 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.67 x 105 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.65 x 105 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.49 x 105 pH 8;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 76400 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Koc 14200 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logD 4.19 pH 1;Ubushyuhe: 25 ° C. (1) ACD
logD 5.52 pH 2;Ubushyuhe: 25 ° C. (1) ACD
logD 6.48 pH 3;Ubushyuhe: 25 ° C. (1) ACD
logD 6.96 pH 4;Ubushyuhe: 25 ° C. (1) ACD
logD 7.06 pH 5;Ubushyuhe: 25 ° C. (1) ACD
logD 7.07 pH 6;Ubushyuhe: 25 ° C. (1) ACD
logD 7.07 pH 7;Ubushyuhe: 25 ° C. (1) ACD
logD 7.02 pH 8;Ubushyuhe: 25 ° C. (1) ACD
logD 6.73 pH 9;Ubushyuhe: 25 ° C. (1) ACD
logD 6.00 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logP 7.072 ± 0.721 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 1.2 x 10-4 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.096 g / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.3 x 10-3 g / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.8 x 10-4 g / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.6 x 10-4 g / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.2 x 10-4 g / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.2 x 10-4 g / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.2 x 10-4 g / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.4 x 10-4 g / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.7 x 10-4 g / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.4 x 10-3 g / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.2 x 10-4 g / L. Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 1.4 x 10-7 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.1 x 10-4 mol / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.0 x 10-6 mol / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.5 x 10-7 mol / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.8 x 10-7 mol / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.4 x 10-7 mol / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.4 x 10-7 mol / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 1.4 x 10-7 mol / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.6 x 10-7 mol / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.1 x 10-7 mol / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.6 x 10-6 mol / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.4 x 10-7 mol / L. Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 869.94    
pKa 9.16 ± 0.20 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa 3.45 ± 0.70 Ubushyuhe bwibanze: 25 ° C. (1) ACD

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Lipinski

Umutungo Agaciro Imiterere Inkomoko
Impapuro zishobora guhinduka 19   (1) ACD
H Abakira 16   (1) ACD
H Abaterankunga 2   (1) ACD
H Abaterankunga / Abemera Sum 18   (1) ACD
logP 7.072 ± 0.721 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 869.94    

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Imiterere ijyanye

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 194 A2 (1) ACD

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Ibiteganijwe

Spectra irahari
1 H NMR
13 C NMR

GHS Ibyatangajwe

Kode Amagambo ya Hazard Inkomoko
H303 Birashobora kuba bibi iyo umizwe Impuguke Yatunganijwe

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