C53H66N7O8PSi URUBANZA OYA.: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramidite] (ACI)

ibicuruzwa

C53H66N7O8PSi URUBANZA OYA.: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- - [2-cyanoethyl N, N-bis (1- methylethyl) phosphoramidite] (ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

104992-55-4

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 988.19 -
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) C1O [Si] (C) (C) C (C) (C) C ) 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] (O [Si] (C (C) (C) C) (C) C) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

InChI

InChI = 1S / C53H66N7O8PSi / c1-36 (2) 60 (37 (3) 4) 69 (65-32-18-31-54) 67-46-44 (33-64-53 (39-21-16- 13-17-22-39,40-23-27-42 (62-8) 28-24-40) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 ( 46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49 (45) 59) 58-50 (61) 38-19- 14-12-15-20-38 / h1 2-17,19-30,34-37,44,46-47,51H, 18,32-33H2,1-11H3, (H, 55,56,58, 61) / t44-, 46-, 47-, 51-, 69? / M1 / ​​s1

InChI Urufunguzo

FFXHNCNNHASXCT-RFMFGJHUSA-N

1 Irindi zina kuriyi ngingo

Adenosine,N-benzoyl-5 ′ -O- [bis (4-mikorerexyphenyl) fenylmethyl] -2 ′ -O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ -

Ikigereranyo

Spectra irahari
Misa

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Lipinski
Imiterere ijyanye

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 5.50 x 105 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 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 1.00 x 106 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.00 x 106 pH 10; Ubushyuhe: 25 ° C. (1) ACD

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Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 61500 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.64 x 106 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 107 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 107 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 107 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 107 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 107 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Koc 1.00 x 107 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Koc 3.20 x 106 pH 9; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 9.24 x 105 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logD 8.81 pH 1; Ubushyuhe: 25 ° C. (1) ACD
logD 10.24 pH 2; Ubushyuhe: 25 ° C. (1) ACD
logD 11.24 pH 3; Ubushyuhe: 25 ° C. (1) ACD
logD 11.73 pH 4; Ubushyuhe: 25 ° C. (1) ACD
logD 11.83 pH 5; Ubushyuhe: 25 ° C. (1) ACD
logD 11.83 pH 6; Ubushyuhe: 25 ° C. (1) ACD
logD 11.75 pH 7; Ubushyuhe: 25 ° C. (1) ACD
logD 11.31 pH 8; Ubushyuhe: 25 ° C. (1) ACD
logD 10.53 pH 9; Ubushyuhe: 25 ° C. (1) ACD
logD 9.99 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logP 11.845 ± 0.715 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 1.2 x 10-5 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.5 x 10-3 g / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 1.1 x 10-4 g / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 9.9 x 10-6 g / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.4 x 10-6 g / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.7 x 10-6 g / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 2.7 x 10-6 g / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-6 g / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 8.9 x 10-6 g / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 6.3 x 10-5 g / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.2 x 10-4 g / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.2 x 10-6 g / L. Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 1.2 x 10-8 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.5 x 10-6 mol / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.1 x 10-7 mol / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 1.0 x 10-8 mol / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.4 x 10-9 mol / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.7 x 10-9 mol / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 2.7 x 10-9 mol / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.2 x 10-9 mol / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 9.0 x 10-9 mol / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 6.4 x 10-8 mol / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 4.2 x 10-7 mol / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 3.2 x 10-9 mol / L. Amazi adafite ingufu pH 7.00; Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 988.19
pKa 7.87 ± 0.43 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 21   (1) ACD
H Abakira 15   (1) ACD
H Abaterankunga 1   (1) ACD
H Abaterankunga / Abemera Sum 16   (1) ACD
logP 11.845 ± 0.715 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 988.19    

Kubara ukoresheje

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 178 A2 (1) ACD

Imiterere ijyanye

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Iterambere rya Chimie Itezimbere (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Ibiteganijwe

Spectra irahari
1 H NMR
13 C NMR


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