C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI )

hua

C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI )

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha rāpoi 769.96 -
Kiato (I Matapaetia) 1.25±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr
pKa (I Matapaetia) 9.16±0.20 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

Nga Ataata Canonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
NGĀ ATA ISOMER
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C3= C(N=C2)C(=O)N=C(NC(C(C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC) C=C5)C6=CC=CC=C6
InChI
InChI=1S/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39)42-24-46(35)38-34(54-55(54-55) 8,9)40(3,4)5)33(47)31(53-38)23-52-41(2 6-13-11-10-12-14-26,27-15-19-29 (50-6)20-16-27)28-17-21-30(51-7)22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1 -9H3,(H2,43,44,45,
48,49)/t31-,33-,34-,38-/m1/s1
Kī InChI
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Ētahi atu Ingoa mō tēnei matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)

Spectra Whakamatau

Kei te waatea te Spectra
1H NMR
13C 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 1.38 x 105 pH 1; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3.53 x 105 pH 2; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 4.18 x 105 pH 3; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 4.26 x 105 pH 4; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 4.26 x 105 pH 5; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 4.26 x 105 pH 6; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 4.21 x 105 pH 7; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3.77 x 105 pH 8; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.86 x 105 pH 9; Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 33800 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 1.21 x 105 pH 1; Te Mahana: 25 °C (1) ACD
Koc 3.08 x 105 pH 2; Te Mahana: 25 °C (1) ACD
Koc 3.65 x 105 pH 3; Te Mahana: 25 °C (1) ACD
Koc 3.72 x 105 pH 4; Te Mahana: 25 °C (1) ACD
Koc 3.73 x 105 pH 5; Te Mahana: 25 °C (1) ACD
Koc 3.72 x 105 pH 6; Te Mahana: 25 °C (1) ACD
Koc 3.68 x 105 pH 7; Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 3.30 x 105 pH 8; Te Mahana: 25 °C (1) ACD
Koc 1.62 x 105 pH 9; Te Mahana: 25 °C (1) ACD
Koc 29600 pH 10; Te Mahana: 25 °C (1) ACD
rangitakiD 7.22 pH 1; Te Mahana: 25 °C (1) ACD
rangitakiD 7.63 pH 2; Te Mahana: 25 °C (1) ACD
rangitakiD 7.70 pH 3; Te Mahana: 25 °C (1) ACD
rangitakiD 7.71 pH 4; Te Mahana: 25 °C (1) ACD
rangitakiD 7.71 pH 5; Te Mahana: 25 °C (1) ACD
rangitakiD 7.71 pH 6; Te Mahana: 25 °C (1) ACD
rangitakiD 7.70 pH 7; Te Mahana: 25 °C (1) ACD
rangitakiD 7.66 pH 8; Te Mahana: 25 °C (1) ACD
rangitakiD 7.35 pH 9; Te Mahana: 25 °C (1) ACD
rangitakiD 6.61 pH 10; Te Mahana: 25 °C (1) ACD
rangitakiP 7.710±0.709 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 2.7 x 10-5 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 8.5 x 10-5 g/L pH 1; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.3 x 10-5 g/L pH 2; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.8 x 10-5 g/L pH 3; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.7 x 10-5 g/L pH 4; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.7 x 10-5 g/L pH 5; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.7 x 10-5 g/L pH 6; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.8 x 10-5 g/L pH 7; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-5 g/L pH 8; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 6.2 x 10-5 g/L pH 9; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-4 g/L pH 10; Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.8 x 10-5 g/L Te Wai Whakakore pH 7.00; Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 3.5 x 10-8 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 1; Te Mahana: 25 °C (1) ACD
Molar Solubility 4.3 x 10-8 mol/L pH 2; Te Mahana: 25 °C (1) ACD
Molar Solubility 3.6 x 10-8 mol/L pH 3; Te Mahana: 25 °C (1) ACD
Molar Solubility 3.5 x 10-8 mol/L pH 4; Te Mahana: 25 °C (1) ACD
Molar Solubility 3.5 x 10-8 mol/L pH 5; Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 3.5 x 10-8 mol/L pH 6; Te Mahana: 25 °C (1) ACD
Molar Solubility 3.6 x 10-8 mol/L pH 7; Te Mahana: 25 °C (1) ACD
Molar Solubility 4.0 x 10-8 mol/L pH 8; Te Mahana: 25 °C (1) ACD
Molar Solubility 8.1 x 10-8 mol/L pH 9; Te Mahana: 25 °C (1) ACD
Molar Solubility 4.5 x 10-7 mol/L pH 10; Te Mahana: 25 °C (1) ACD
Molar Solubility 3.6 x 10-8 mol/L Te Wai Whakakore pH 7.00; Te Mahana: 25 °C (1) ACD
Taumaha rāpoi 769.96    
pKa 9.16±0.20 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa 1.73±0.10 Te Mahana Matua: 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 1.25±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD
Rōrahi Moara 615.5±7.0 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 14   (1) ACD
H Nga Kaiwhiwhi 13   (1) ACD
H Nga Kaituku 3   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 16   (1) ACD
rangitakiP 7.710±0.709 Te Mahana: 25 °C (1) ACD
Taumaha rāpoi 769.96    

(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 155 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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