118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)

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118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 660.83 -
Kiato (I Matapaetia) 1.24±0.1 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr
pKa (I Matapaetia) 9.39±0.10 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

MATE O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O[Si](C)(C)C(C)(C)C
NGĀ ATA ISOMERIKA
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C( =O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC= C5
InChI
InChI=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28( 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
Kī InChI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Ētahi atu Ingoa mō tēnei Matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI);2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytriyl)uridine

Spectra Whakamatau

Kei te waatea te Spectra
1H NMR
13C NMR
Hetero NMR
Mass

Nga Taonga Matapae

Nga rawa e waatea ana
Koiora
Te matū
Kiato
Lipinski
Hanganga e Pa ana

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 2.21 x 105 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.21 x 105 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.21 x 105 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.21 x 105 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.21 x 105 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.21 x 105 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.20 x 105 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.12 x 105 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.54 x 105 pH 9;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 42500 pH 10;Te Mahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Te matū

Taonga Uara Tikanga Puna
Koc 2.33 x 105 pH 1;Te Mahana: 25 °C (1) ACD
Koc 2.33 x 105 pH 2;Te Mahana: 25 °C (1) ACD
Koc 2.33 x 105 pH 3;Te Mahana: 25 °C (1) ACD
Koc 2.33 x 105 pH 4;Te Mahana: 25 °C (1) ACD
Koc 2.33 x 105 pH 5;Te Mahana: 25 °C (1) ACD
Koc 2.33 x 105 pH 6;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 2.32 x 105 pH 7;Te Mahana: 25 °C (1) ACD
Koc 2.23 x 105 pH 8;Te Mahana: 25 °C (1) ACD
Koc 1.62 x 105 pH 9;Te Mahana: 25 °C (1) ACD
Koc 44800 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiD 7.33 pH 1;Te Mahana: 25 °C (1) ACD
rangitakiD 7.33 pH 2;Te Mahana: 25 °C (1) ACD
rangitakiD 7.33 pH 3;Te Mahana: 25 °C (1) ACD
rangitakiD 7.33 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD 7.33 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD 7.33 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD 7.33 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD 7.32 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD 7.18 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD 6.62 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiP 7.334±0.643 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 3.5 x 10-5 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L pH 7;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.6 x 10-5 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 5.0 x 10-5 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.9 x 10-4 g/L pH 10;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-5 g/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 5.3 x 10-8 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-8 mol/L pH 1;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-8 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-8 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-8 mol/L pH 4;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 5.3 x 10-8 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-8 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-8 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.5 x 10-8 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 7.6 x 10-8 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.8 x 10-7 mol/L pH 10;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-8 mol/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD
Taumaha Molecular 660.83    
pKa 9.39±0.10 Te Mahana Waiwawa Nui: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Kiato

Taonga Uara Tikanga Puna
Kiato 1.24±0.1 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr (1) ACD
Rōrahi Moara 528.8±5.0 cm3/mol Te Mahana: 20 °C;Perehi: 760 Torr (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 13   (1) ACD
H Nga Kaiwhiwhi 10   (1) ACD
H Nga Kaituku 2   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 12   (1) ACD
rangitakiP 7.334±0.643 Te Mahana: 25 °C (1) ACD
Taumaha Molecular 660.83    

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Hanganga e Pa ana

Taonga Uara

Tikanga

Puna
Rohe Mata Polar 116 A2 (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Tohua Matapae

Kei te waatea te Spectra
1H NMR
13C NMR


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