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

oloa

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

Fa'amatalaga Autu:


Fa'amatalaga Oloa

Faailoga o oloa

Meatotino faaletino

Meatotino Faaletino Autu Taua Tulaga
Molecular Weight 731.79 -
Lisi Lisi (Fa'ata'ita'i) 119-121 °C -
To'atele (Va'ai) 1.31±0.1g/cm3 Maalili: 20 °C;Lomitusi: 760 Torr
pKa (vala'aina) 7.87±0.43 Le Tele o le Acid Temp: 25 °C

Isi Igoa ma Fa'ailoaga

O'O'ITA'I Canonical 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 SMILES
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 Ki
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Isi Igoa mo lea mea
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine (ACI);17: PN: US20030211606 ITULAU: 19 fai mai faasologa;18: PN: US20040005569 ITULAU: 22 fai mai faasologa;20: PN: US20040006030 ITULAU: 23 fai mai faasologa;20: PN: US20040014047 ITULAU: 21 fai mai faasologa;20: PN: US20040014049 ITULAU: 21 fai mai faasologa;21: PN: US20040005570 PAG

E: 20 fai mai fa'asologa;21: PN: US20040014048 ITULAU: 21 fai mai faasologa;21: PN: US20040014050 ITULAU: 20 fai mai faasologa;22: PN: US20040005565 ITULAU: 17- 22 faʻasologa faʻasologa;22: PN: US20040014051 ITULAU: 23 fai mai faasologa;23: PN: US20040 014699 ITULAU: 20 fa'asologa fa'asologa;24: PN: US20040006029 ITULAU: 23 fai mai faasologa;24: PN: WO03106645 ITULAU: 73 fai mai faasologa;5′-Dimethoxytrityl-2′-O-(2-Methoxyethyl)-N6-benzoyl adenosine;95: PN: US20040005707 ITULAU: 20 fa'asologa fa'asologa

Meatotino Fa'ata'ita'i

Meatotino avanoa
Mafanafana

Mafanafana

Meatotino Taua Tulaga Punavai
Lisi Lisi 119-121 °C (1) CAS

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

Fa'ata'ita'iga Spectra

Spectra avanoa
1H NMR
13C NMR

Meatotino Va'ai

Meatotino avanoa
Biological
Kemisi
Malosi
Lipinski
Fauga Faatatau

Biological

Meatotino Taua Tulaga Punavai
Bioconcentration Factor 31700 pH 1;Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.08 x 105 pH 2;Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.43 x 105 pH 3;Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.48 x 105 pH 4;Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.48 x 105 pH 5;Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.45 x 105 pH 6;Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.19 x 105 pH 7;Maalili: 25 °C (1) ACD
Bioconcentration Factor 43000 pH 8;Maalili: 25 °C (1) ACD
Bioconcentration Factor 7050 pH 9;Maalili: 25 °C (1) ACD

 

Meatotino Taua Tulaga Punavai
Bioconcentration Factor 2060 pH 10;Maalili: 25 °C (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Kemisi

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

 

Meatotino Taua Tulaga Punavai
Mass Solubility 1.9 x 10-5 g/L pH 8;Maalili: 25 °C (1) ACD
Mass Solubility 1.2 x 10-4 g/L pH 9;Maalili: 25 °C (1) ACD
Mass Solubility 4.0 x 10-4 g/L pH 10;Maalili: 25 °C (1) ACD
Mass Solubility 7.0 x 10-6 g/L Suavai e le fa'afefe pH 7.00;Maalili: 25 °C (1) ACD
Molar Intrinsic Solubility 7.6 x 10-9 mol/L Maalili: 25 °C (1) ACD
Molar Solubility 3.6 x 10-8 mol/L pH 1;Maalili: 25 °C (1) ACD
Molar Solubility 1.0 x 10-8 mol/L pH 2;Maalili: 25 °C (1) ACD
Molar Solubility 7.9 x 10-9 mol/L pH 3;Maalili: 25 °C (1) ACD
Molar Solubility 7.7 x 10-9 mol/L pH 4;Maalili: 25 °C (1) ACD
Molar Solubility 7.7 x 10-9 mol/L pH 5;Maalili: 25 °C (1) ACD
Molar Solubility 7.8 x 10-9 mol/L pH 6;Maalili: 25 °C (1) ACD
Molar Solubility 9.6 x 10-9 mol/L pH 7;Maalili: 25 °C (1) ACD
Molar Solubility 2.6 x 10-8 mol/L pH 8;Maalili: 25 °C (1) ACD
Molar Solubility 1.6 x 10-7 mol/L pH 9;Maalili: 25 °C (1) ACD
Molar Solubility 5.5 x 10-7 mol/L pH 10;Maalili: 25 °C (1) ACD
Molar Solubility 9.5 x 10-9 mol/L Suavai e le fa'afefe pH 7.00;Maalili: 25 °C (1) ACD
Molecular Weight 731.79    
pKa 7.87±0.43 Le Tele o le Acid Temp: 25 °C (1) ACD
pKa 1.39±0.10 Tele Su'esu'ega Autu: 25 °C (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Malosi

Meatotino Taua Tulaga Punavai
Malosi 1.31±0.1g/cm3 Maalili: 20 °C;Lomitusi: 760 Torr (1) ACD
Molar Volume 556.9±7.0 cm3/mol Maalili: 20 °C;Lomitusi: 760 Torr (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Meatotino Taua Tulaga Punavai
Noanoaga e mafai ona fesuia'i saoloto 15 (1) ACD
H Tagata talia 13 (1) ACD
H Donors 2 (1) ACD
H Fa'ameaalofa/Tagata Talia 15 (1) ACD
 

 

Meatotino Taua Tulaga Punavai
logP 7.109±0.766 Maalili: 25 °C (1) ACD
Molecular Weight 731.79    

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Fauga Faatatau

Meatotino Taua

Tulaga

Punavai
Polar Surface Area 148 A2 (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Va'aiga Spectra

Spectra avanoa
1H NMR
13C NMR


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