C41H41N5O8 Adenosine, N-benzoyl-5′-O--[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)

mankhwala

C41H41N5O8 Adenosine, N-benzoyl-5′-O--[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)

Zambiri Zoyambira:


Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Thupi katundu

Zofunika Zathupi Mtengo Mkhalidwe
Kulemera kwa Maselo 731.79 -
Melting Point (Zoyeserera) 119-121 ° C -
Kachulukidwe (Zonenedweratu) 1.31±0.1 g/cm3 Kutentha: 20 ° C;Press: 760 Torr
pKa (Zonenedweratu) 7.87±0.43 Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical AMAmwetulira O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
Isomeric AMAmwetulira
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)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/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChi Key
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Maina ena a chinthu ichi
N-Benzoyl-5'-O--[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine (ACI);17: PN: US20030211606 TSAMBA: 19 zotsatizana;18: PN: US20040005569 TSAMBA: 22 zotsatizana;20: PN: US20040006030 TSAMBA: 23 zotsatizana;20: PN: US20040014047 TSAMBA: 21 zotsatizana;20: PN: US20040014049 TSAMBA: 21 zotsatizana;21: PN: US20040005570 PAG

E: 20 zotsatizana;21: PN: US20040014048 TSAMBA: 21 zotsatizana;21: PN: US20040014050 TSAMBA: 20 zotsatizana;22: PN: US20040005565 TSAMBA: 17- 22 zotsatizana;22: PN: US20040014051 TSAMBA: 23 zotsatizana;23: PN: US20040 014699 TSAMBA: 20 zotsatizana;24: PN: US20040006029 TSAMBA: 23 zotsatizana;24: PN: WO03106645 TSAMBA: 73 zotsatizana;5'-Dimethoxytrityl-2'-O-(2-Methoxyethyl) -N6-benzoyl adenosine;95: PN: US20040005707 TSAMBA: 20 zotsatizana

Zoyeserera

Katundu zilipo
Kutentha

Kutentha

Katundu Mtengo Mkhalidwe Gwero
Melting Point 119-121 ° C (1) CAS

(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus

Experimental Spectra

Spectra ilipo
1H NMR
13C NMR

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe

Zachilengedwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 31700 pH 1;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.08x105 pH 2;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.43x105 pH 3;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.48x105 pH 4;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.48x105 pH 5;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.45x105 pH 6;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.19 x 105 pH 7;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 43000 pH 8;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 7050 pH 9;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 2060 pH 10;Kutentha: 25 ° C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Katundu Mtengo Mkhalidwe Gwero
Koc 37400 pH 1;Kutentha: 25 ° C (1) ACD
Koc 1.28x105 pH 2;Kutentha: 25 ° C (1) ACD
Koc 1.69x105 pH 3;Kutentha: 25 ° C (1) ACD
Koc 1.74x105 pH 4;Kutentha: 25 ° C (1) ACD
Koc 1.74x105 pH 5;Kutentha: 25 ° C (1) ACD
Koc 1.71x105 pH 6;Kutentha: 25 ° C (1) ACD
Koc 1.40 x 105 pH 7;Kutentha: 25 ° C (1) ACD
Koc 50700 pH 8;Kutentha: 25 ° C (1) ACD
Koc 8320 pH 9;Kutentha: 25 ° C (1) ACD
Koc 2430 pH 10;Kutentha: 25 ° C (1) ACD
logD 6.44 pH 1;Kutentha: 25 ° C (1) ACD
logD 6.97 pH 2;Kutentha: 25 ° C (1) ACD
logD 7.09 pH 3;Kutentha: 25 ° C (1) ACD
logD 7.11 pH 4;Kutentha: 25 ° C (1) ACD
logD 7.11 pH 5;Kutentha: 25 ° C (1) ACD
logD 7.10 pH 6;Kutentha: 25 ° C (1) ACD
logD 7.01 pH 7;Kutentha: 25 ° C (1) ACD
logD 6.57 pH 8;Kutentha: 25 ° C (1) ACD
logD 5.78 pH 9;Kutentha: 25 ° C (1) ACD
logD 5.25 pH 10;Kutentha: 25 ° C (1) ACD
logP 7.109±0.766 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 5.6 x 10-6 g/L Kutentha: 25 ° C (1) ACD
Misa Solubility 2.6 x 10-5 g/L pH 1;Kutentha: 25 ° C (1) ACD
Misa Solubility 7.3 x 10-6 g/L pH 2;Kutentha: 25 ° C (1) ACD
Misa Solubility 5.8 x 10-6 g/L pH 3;Kutentha: 25 ° C (1) ACD
Misa Solubility 5.6 x 10-6 g/L pH 4;Kutentha: 25 ° C (1) ACD
Misa Solubility 5.6 x 10-6 g/L pH 5;Kutentha: 25 ° C (1) ACD
Misa Solubility 5.7 x 10-6 g/L pH 6;Kutentha: 25 ° C (1) ACD
Misa Solubility 7.0 x 10-6 g/L pH 7;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Misa Solubility 1.9 x 10-5 g/L pH 8;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.2 x 10-4 g/L pH 9;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.0 x 10-4 g/L pH 10;Kutentha: 25 ° C (1) ACD
Misa Solubility 7.0 x 10-6 g/L Madzi Osasunthika pH 7.00;Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 7.6 x 10-9 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 3.6 x 10-8 mol / L pH 1;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.0 x 10-8 mol / L pH 2;Kutentha: 25 ° C (1) ACD
Molar Solubility 7.9 x 10-9 mol / L pH 3;Kutentha: 25 ° C (1) ACD
Molar Solubility 7.7 x 10-9 mol / L pH 4;Kutentha: 25 ° C (1) ACD
Molar Solubility 7.7 x 10-9 mol / L pH 5;Kutentha: 25 ° C (1) ACD
Molar Solubility 7.8 x 10-9 mol / L pH 6;Kutentha: 25 ° C (1) ACD
Molar Solubility 9.6 x 10-9 mol / L pH 7;Kutentha: 25 ° C (1) ACD
Molar Solubility 2.6 x 10-8 mol / L pH 8;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.6 x 10-7 mol / L pH 9;Kutentha: 25 ° C (1) ACD
Molar Solubility 5.5 x 10-7 mol / L pH 10;Kutentha: 25 ° C (1) ACD
Molar Solubility 9.5 x 10-9 mol / L Madzi Osasunthika pH 7.00;Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 731.79    
pKa 7.87±0.43 Kutentha Kwambiri kwa Acid: 25 ° C (1) ACD
pKa 1.39±0.10 Kutentha Kwambiri Kwambiri: 25 °C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kuchulukana

Katundu Mtengo Mkhalidwe Gwero
Kuchulukana 1.31±0.1 g/cm3 Kutentha: 20 ° C;Press: 760 Torr (1) ACD
Molar Volume 556.9±7.0cm3/mol Kutentha: 20 ° C;Press: 760 Torr (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Katundu Mtengo Mkhalidwe Gwero
Ma Bond Osinthasintha Mwaulere 15 (1) ACD
H Olandira 13 (1) ACD
H Opereka 2 (1) ACD
H Chiwerengero cha Wopereka / Wolandira 15 (1) ACD
 

 

Katundu Mtengo Mkhalidwe Gwero
logP 7.109±0.766 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 731.79    

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zogwirizana ndi Kapangidwe

Katundu Mtengo

Mkhalidwe

Gwero
Malo a Polar Surface 148 a2 (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zoneneratu za Spectra

Spectra ilipo
1H NMR
13C NMR


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