C43H55N4O10P Uridine, 5 ′ -O- methylethyl) fosifore amidite] (ACI)

ibicuruzwa

C43H55N4O10P Uridine, 5 ′ -O- methylethyl) fosifore amidite] (ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

163878-63-5

H302

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 818.89 -
pKa (Byahanuwe) 9.55 ± 0.10 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

N # CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) 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) N2C (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5

InChI

InChI = 1S / C43H55N4O10P / c1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 53-26- 25-50-6) 46-27-31 (5) 40 (48) 45-42 (46) 49) 2 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34 / h9-11,13-22,27,29-30,37-39,41H, 12,24-26,28H2, 1-8H3, (H, 45,48,49) / t37- , 38-, 39-, 41-, 58? / M1 / ​​s1

InChI Urufunguzo

YFRRKZDUDXHJNC-KZQAAKLLSA-N

17 Andi mazina kuriyi ngingo

Uridine, 5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- (2-mikorerexyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) fosifore

amidite] (9CI); 10: PN: US20030212017 URUPAPURO: 18 basabye RNA; 11: PN: US20030211606 URUPAPURO: 18 basabye RNA; 13: PN: US20040

005569 URUPAPURO: 21 basabye RNA; 13: PN: US20040006030 URUPAPURO: 22 basabye RNA; 13: PN: US20040014048 URUPAPURO: 19 basabye RNA; 13: PN: US20040014049 URUPAPURO: 19 basabye RNA; 14: PN: US20030198965 URUPAPURO: 19 basabye RNA; 14: PN: US20040005565 URUPAPURO: 17- 22 basabye RNA; 14: PN: US20040005570 URUPAPURO: 19 basabye RNA; 14: PN: US20040014047 URUPAPURO: 19 basabye RNA; 14: PN: US20040

014699 URUPAPURO: 19 basabye RNA; 15: PN: US20040014050 URUPAPURO: 19 basabye RNA; 15: PN: US20040014051 URUPAPURO: 21 basabye RNA; 15:

PN: WO03106645 URUPAPURO: 69 basabye RNA; 16: PN: US20040006029 URUPAPURO: 22 basabye RNA; 87: PN: US20040005707 URUPAPURO: 19 basabye RNA

Ikigereranyo

Spectra irahari
1 H NMR
13 C NMR
Hetero NMR

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 348 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 2810 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 21100 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 63100 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 78800 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 80800 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 80800 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 78800 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 63400 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 21800 pH 10; Ubushyuhe: 25 ° C. (1) ACD

.

Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 487 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Koc 3940 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Koc 29600 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Koc 88400 pH 4; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 1.10 x 105 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.13 x 105 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.13 x 105 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.10 x 105 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Koc 88800 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Koc 30600 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logD 4.39 pH 1; Ubushyuhe: 25 ° C. (1) ACD
logD 5.30 pH 2; Ubushyuhe: 25 ° C. (1) ACD
logD 6.18 pH 3; Ubushyuhe: 25 ° C. (1) ACD
logD 6.65 pH 4; Ubushyuhe: 25 ° C. (1) ACD
logD 6.75 pH 5; Ubushyuhe: 25 ° C. (1) ACD
logD 6.76 pH 6; Ubushyuhe: 25 ° C. (1) ACD
logD 6.76 pH 7; Ubushyuhe: 25 ° C. (1) ACD
logD 6.75 pH 8; Ubushyuhe: 25 ° C. (1) ACD
logD 6.65 pH 9; Ubushyuhe: 25 ° C. (1) ACD
logD 6.19 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logP 6.761 ± 0.669 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 2.0 x 10-4 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.046 g / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.7 x 10-3 g / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 7.6 x 10-4 g / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.5 x 10-4 g / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.0 x 10-4 g / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.0 x 10-4 g / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.0 x 10-4 g / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.0 x 10-4 g / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.5 x 10-4 g / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 7.4 x 10-4 g / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.0 x 10-4 g / L. Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 2.4 x 10-7 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.6 x 10-5 mol / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 7.0 x 10-6 mol / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 9.3 x 10-7 mol / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.1 x 10-7 mol / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.5 x 10-7 mol / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.4 x 10-7 mol / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.4 x 10-7 mol / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.5 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 9.0 x 10-7 mol / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.4 x 10-7 mol / L. Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 818.89    
pKa 9.55 ± 0.10 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 21   (1) ACD
H Abakira 14   (1) ACD
H Abaterankunga 1   (1) ACD
H Abaterankunga / Abemera Sum 15   (1) ACD
logP 6.761 ± 0.669 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 818.89    

.

Imiterere ijyanye

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 164 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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