C47H60N7O10P Guanosine, 5 ′ -O- , N-bis (1-methylethyl) phosphoramidite] (ACI)

ibicuruzwa

C47H60N7O10P Guanosine, 5 ′ -O- , N-bis (1-methylethyl) phosphoramidite] (ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

251647-55-9

H302

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 914.00 -
pKa (Byahanuwe) 9.16 ± 0.20 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

N # CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) NC32) C1OCCOC) 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] (OCCOC) [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 / C47H60N7O10P / c1-30 (2) 43 (55) 51-46-50-42-39 (44 (56) 52-46) 49-29-53 (42) 45-41 (60-27- 26-57-7) 40 (64-65 (62-25-13-24-48) 54 ( 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-14-11-10-12-15-33,34-16-20-36 (58-8) 21-17-34) 35-18-22-37 (59-9) 23-19-35 / h10-12,14-23,29-32,38 , 40-41,45H, 13,25-28H2,1-9H3, (H2,50,51,52,55,56) / t38-, 40-, 41-, 45-, 65? / M1 / ​​s1

InChI Urufunguzo

LADCDGNEBIQAAU-SBCRAQIVSA-N

17 Andi mazina kuriyi ngingo

Guanosine, 5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- (2-mikorerexyethyl) -N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl bis (1- methylethyl) phosphoramidite] (9CI); 17: PN: US20030212017 URUPAPURO: 20 byavuzwe bikurikirana; 18: PN: US20030211606 URUPAPURO: 20

ikurikirana; 19: PN: US20040005569 URUPAPURO: 22 byavuzwe bikurikiranye; 21: PN: US20040006030 URUPAPURO: 23 basabye urukurikirane; 21: PN: US20040014047 URUPAPURO: 21 rwasabye urukurikirane; 21: PN: US20040014049 URUPAPURO: 21 rwasabye urukurikirane; 22: PN: US20030198965 URUPAPURO

E: 20 byavuzwe bikurikirana; 22: PN: US20040005570 URUPAPURO: 21 rwasabye urukurikirane; 22: PN: US20040014048 URUPAPURO: 21 rwasabye urukurikirane;

22: PN: US20040014050 URUPAPURO: 21 rwasabye urukurikirane; 23: PN: US20040005565 URUPAPURO: 17- 22 basabye urukurikirane; 23: PN: US20040

014051 URUPAPURO: 23 basabye urukurikirane; 24: PN: US20040014699 URUPAPURO: 21 rwasabye urukurikirane; 25: PN: US20040006029 URUPAPURO: 23 rwasabye urukurikirane; 25: PN: WO03106645 URUPAPURO: 73 rwasabye urukurikirane; 96: PN: US20040005707 URUPAPURO: 21 rwasabye urukurikirane

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 121 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 2580 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 23500 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 71800 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 89800 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 92100 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 91300 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 82500 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 42200 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 7860 pH 10; Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 164 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Koc 3480 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Koc 31700 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Koc 96900 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.21 x 105 pH 5; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 1.24 x 105 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.23 x 105 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.11 x 105 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Koc 56900 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Koc 10600 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logD 3.95 pH 1; Ubushyuhe: 25 ° C. (1) ACD
logD 5.28 pH 2; Ubushyuhe: 25 ° C. (1) ACD
logD 6.24 pH 3; Ubushyuhe: 25 ° C. (1) ACD
logD 6.73 pH 4; Ubushyuhe: 25 ° C. (1) ACD
logD 6.82 pH 5; Ubushyuhe: 25 ° C. (1) ACD
logD 6.83 pH 6; Ubushyuhe: 25 ° C. (1) ACD
logD 6.83 pH 7; Ubushyuhe: 25 ° C. (1) ACD
logD 6.79 pH 8; Ubushyuhe: 25 ° C. (1) ACD
logD 6.50 pH 9; Ubushyuhe: 25 ° C. (1) ACD
logD 5.77 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logP 6.837 ± 0.764 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 4.4 x 10-4 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.34 g / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.016 g / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.7 x 10-3 g / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.7 x 10-4 g / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.6 x 10-4 g / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.4 x 10-4 g / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.5 x 10-4 g / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.9 x 10-4 g / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.0 x 10-3 g / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.2 x 10-3 g / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.5 x 10-4 g / L. Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 4.8 x 10-7 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.7 x 10-4 mol / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.7 x 10-5 mol / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.9 x 10-6 mol / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 6.2 x 10-7 mol / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.0 x 10-7 mol / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.8 x 10-7 mol / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.9 x 10-7 mol / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.4 x 10-7 mol / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.1 x 10-6 mol / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.7 x 10-6 mol / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.9 x 10-7 mol / L. Amazi adafite amazi pH 6.99; Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 914.00    
pKa 9.16 ± 0.20 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa 3.45 ± 0.70 Ubushyuhe bwibanze: 25 ° C. (1) ACD

.

Lipinski

Umutungo Agaciro Imiterere Inkomoko
Impapuro zishobora guhinduka 22   (1) ACD
H Abakira 17   (1) ACD
H Abaterankunga 2   (1) ACD
H Abaterankunga / Abemera Sum 19   (1) ACD
logP 6.837 ± 0.764 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 914.00    

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Imiterere ijyanye

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 203 A2 (1) ACD

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Ibiteganijwe

Spectra irahari
1 H NMR
13 C NMR

GHS Ibyatangajwe

Inkomoko ya Code Hazard Inkomoko
H302 Byangiza niba byamizwe Ikigo cy’iburayi gishinzwe imiti (ECHA) Gutondekanya & Kwandika

Ibarura - Kumenyeshwa ibyiciro no kuranga - kumenyeshwa cyane, Ikigo gishinzwe imiti (ECHA)

Itondekanya & Ibiranga Ibarura - Bimenyeshejwe ibyiciro hamwe na label - imenyesha rikomeye


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