C50H58N7O9P Adenosine, N-benzoyl-5 ′ -O- ) fosiforaide] (ACI)

ibicuruzwa

C50H58N7O9P Adenosine, N-benzoyl-5 ′ -O- ) fosiforaide] (ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

251647-53-7

H302

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 932.01 -
pKa (Byahanuwe) 7.87 ± 0.43 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

N # CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OCCOC) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (OC) C = C7) 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 = 3C (N = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

InChI

InChI = 1S / C50H58N7O9P / c1-34 (2) 57 (35 (3) 4) 67 (64-28-14-27-51) 66-44-42 (31-63-50 (37-17-12- 9-13-18-37,38-19-23-40 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-59-5) 56-33-54-43-46 (52-32-53-47 (43) 56) 55-48 (58) 36-15-10-8-11 -16-36 / h8-13,15-26, 32-35,42,44-45,49H, 14,28-31H2,1-7H3, (H, 52,53,55,58) / t42-, 44-, 45-, 49-, 67? / M1 / ​​s1

InChI Urufunguzo

VPBYBQBHLYRLHG-HDMAWCRFSA-N

16 Andi mazina kuriyi ngingo

Adenosine,N-benzoyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- (2-mikorerexyethyl) -, 3 ′ - [2-cyanoethyl bis (1-methylethyl)

phosphoramidite] (9CI);16: PN: US20030211606 URUPAPURO: 19 rwasabye urukurikirane;16: PN: US20030212017 URUPAPURO: 20 byavuzwe bikurikiranye;17: PN: US20040005569 URUPAPURO: 22 byavuzwe bikurikiranye;19: PN: US20040006030 URUPAPURO: 23 basabye urukurikirane;19: PN: US20040014047

URUPAPURO: 21 byavuzwe bikurikiranye;19: PN: US20040014049 URUPAPURO: 21 rwasabye urukurikirane;20: PN: US20040005570 URUPAPURO: 20 basabwe

Urukurikirane;20: PN: US20040014048 URUPAPURO: 21 rwasabye urukurikirane;20: PN: US20040014050 URUPAPURO: 20 byavuzwe bikurikiranye;21: PN: U.

S20040005565 URUPAPURO: 17-22 basabye urukurikirane;21: PN: US20040014051 URUPAPURO: 23 rwasabye urukurikirane;22: PN: US20040014699 URUPAPURO: 20 byavuzwe bikurikiranye;23: PN: US20040006029 URUPAPURO: 23 rwasabye urukurikirane;23: PN: WO03106645 URUPAPURO: 73 rwasabye urukurikirane;94: P N: US20040005707 URUPAPURO: 20 byavuzwe bikurikiranye

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 2680 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 71500 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 7.21 x 105 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 8.48 x 105 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.39 x 105 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 40300 pH 10;Ubushyuhe: 25 ° C. (1) ACD

.

Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 1360 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Koc 36300 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Koc 3.66 x 105 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.13 x 106 pH 4;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 1.42 x 106 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.42 x 106 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Koc 1.17 x 106 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Koc 4.30 x 105 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Koc 70800 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Koc 20500 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logD 5.77 pH 1;Ubushyuhe: 25 ° C. (1) ACD
logD 7.20 pH 2;Ubushyuhe: 25 ° C. (1) ACD
logD 8.20 pH 3;Ubushyuhe: 25 ° C. (1) ACD
logD 8.69 pH 4;Ubushyuhe: 25 ° C. (1) ACD
logD 8.79 pH 5;Ubushyuhe: 25 ° C. (1) ACD
logD 8.79 pH 6;Ubushyuhe: 25 ° C. (1) ACD
logD 8.71 pH 7;Ubushyuhe: 25 ° C. (1) ACD
logD 8.27 pH 8;Ubushyuhe: 25 ° C. (1) ACD
logD 7.49 pH 9;Ubushyuhe: 25 ° C. (1) ACD
logD 6.95 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logP 8.803 ± 0.766 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 5.4 x 10-5 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 0.051 g / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.9 x 10-3 g / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.9 x 10-4 g / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 6.0 x 10-5 g / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.8 x 10-5 g / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.8 x 10-5 g / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.8 x 10-5 g / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.6 x 10-4 g / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 9.3 x 10-4 g / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.6 x 10-3 g / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 5.7 x 10-5 g / L. Amazi adafite amazi pH 6.97;Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 5.8 x 10-8 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.5 x 10-5 mol / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.0 x 10-6 mol / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 2.0 x 10-7 mol / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.4 x 10-8 mol / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.1 x 10-8 mol / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 5.1 x 10-8 mol / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.2 x 10-8 mol / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.7 x 10-7 mol / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.0 x 10-6 mol / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.9 x 10-6 mol / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.1 x 10-8 mol / L. Amazi adafite amazi pH 6.97;Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 932.01    
pKa 7.87 ± 0.43 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 16   (1) ACD
H Abaterankunga 1   (1) ACD
H Abaterankunga / Abemera Sum 17   (1) ACD
logP 8.803 ± 0.766 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 932.01    

.

Imiterere ijyanye

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 187 A2 (1) ACD

.

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


  • Mbere:
  • Ibikurikira:

  • Andika ubutumwa bwawe hano hanyuma utwohereze