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

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

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Cikakken Bayani

Tags samfurin

Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 731.79 -
Wurin narkewa (Gwaji) 119-121 ° C -
Girma (An annabta) 1.31± 0.1 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr
pKa (An annabta) 7.87± 0.43 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

Canonical SMILES 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
MURMUSHI
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 Wasu Sunaye na wannan Abu
N-Benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) adenosine (ACI);17: PN: US20030211606 SHAFI: 19 da'awar jerin;18: PN: US20040005569 SHAFI: 22 da'awar jeri;20: PN: US20040006030 SHAFI: 23 da'awar jeri;20: PN: US20040014047 SHAFI: 21 da'awar jeri;20: PN: US20040014049 SHAFI: 21 da'awar jerin;21: PN: US20040005570 PAG

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

Abubuwan Gwaji

Properties akwai
Thermal

Thermal

Dukiya Daraja Sharadi Source
Matsayin narkewa 119-121 ° C (1) CAS

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

Spectra na Gwaji

Spectra akwai
1H NMR
13C NMR

Abubuwan Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 31700 pH da 1;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.08 x 105 pH da 2;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.43 x 105 pH da 3;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.48 x 105 pH da 4;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.48 x 105 pH da 5;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.45 x 105 pH da 6;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.19 x 105 pH da 7;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 43000 pH da 8;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 7050 pH da 9;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 2060 pH 10;Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

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

 

Dukiya Daraja Sharadi Source
Mass Solubility 1.9 x 10-5 g/L pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.2 x 10-4 g/L pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.0 x 10-4 g/L pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 7.0 x 10-6 g/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 7.6 x 10-9 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.6 x 10-8 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.0 x 10-8 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 7.9 x 10-9 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 7.7 x 10-9 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 7.7 x 10-9 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 7.8 x 10-9 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 9.6 x 10-9 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.6 x 10-8 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-7 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.5 x 10-7 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 9.5 x 10-9 mol/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 731.79    
pKa 7.87± 0.43 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 1.39± 0.10 Mafi Asalin Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Yawan yawa

Dukiya Daraja Sharadi Source
Yawan yawa 1.31± 0.1 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD
Ƙarar Molar 556.9± 7.0 cm3/mol Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Dukiya Daraja Sharadi Source
Ƙimar Rarraba Kyauta 15 (1) ACD
H Masu karɓa 13 (1) ACD
H Masu Ba da taimako 2 (1) ACD
H Donor/Acceptor Sum 15 (1) ACD
 

 

Dukiya Daraja Sharadi Source
logP 7.109± 0.766 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 731.79    

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tsarin Yanayi

Dukiya Daraja

Sharadi

Source
Wuri Mai Girma 148 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra da aka annabta

Spectra akwai
1H NMR
13C NMR


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