C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)

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C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- 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 669.72 -
Kiato (I Matapaetia) 1.35±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)C3OC
NGĀ ATA ISOMERIKA
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C3=C(N=C2)C(=O)N=C(NC( C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
=CC=C6
InChI
InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35) 37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-2 2,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/h6-18,20-2 1,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40,43,44)/t27-,29-,30-,34
-/m1/s1
Kī InChI
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Ētahi atu Ingoa mō tēnei matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI)

Nga Taonga Matapae

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

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 797 pH 1; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2030 pH 2; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2400 pH 3; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2450 pH 4; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2450 pH 5; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2450 pH 6; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2420 pH 7; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2170 pH 8; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1070 pH 9; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 195 pH 10; Te Mamahana: 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 3020 pH 1; Te Mamahana: 25 °C (1) ACD
Koc 7680 pH 2; Te Mamahana: 25 °C (1) ACD
Koc 9100 pH 3; Te Mamahana: 25 °C (1) ACD
Koc 9270 pH 4; Te Mamahana: 25 °C (1) ACD
Koc 9290 pH 5; Te Mamahana: 25 °C (1) ACD
Koc 9280 pH 6; Te Mamahana: 25 °C (1) ACD
Koc 9170 pH 7; Te Mamahana: 25 °C (1) ACD
Koc 8220 pH 8; Te Mamahana: 25 °C (1) ACD
Koc 4050 pH 9; Te Mamahana: 25 °C (1) ACD
Koc 737 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.27 pH 1; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.68 pH 2; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
rangitakiD 4.75 pH 3; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.76 pH 4; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.76 pH 5; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.76 pH 6; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.76 pH 7; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.71 pH 8; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.40 pH 9; Te Mamahana: 25 °C (1) ACD
rangitakiD 3.66 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiP 4.763±0.722 Te Mamahana: 25 °C (1) ACD
Te Wairewa o roto 3.1 x 10-4 g/L Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 9.4 x 10-4 g/L pH 1; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.7 x 10-4 g/L pH 2; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-4 g/L pH 3; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-4 g/L pH 4; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-4 g/L pH 5; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-4 g/L pH 6; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-4 g/L pH 7; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-4 g/L pH 8; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 7.4 x 10-4 g/L pH 9; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.9 x 10-3 g/L pH 10; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-4 g/L Te Wai Kore Kore Te pH 6.99; Te Mamahana: 25 °C (1) ACD
Molar Intrinsic Solubility 4.6 x 10-7 mol/L Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.4 x 10-6 mol/L pH 1; Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.5 x 10-7 mol/L pH 2; Te Mamahana: 25 °C (1) ACD
Molar Solubility 4.7 x 10-7 mol/L pH 3; Te Mamahana: 25 °C (1) ACD
Molar Solubility 4.6 x 10-7 mol/L pH 4; Te Mamahana: 25 °C (1) ACD
Molar Solubility 4.6 x 10-7 mol/L pH 5; Te Mamahana: 25 °C (1) ACD
Molar Solubility 4.6 x 10-7 mol/L pH 6; Te Mamahana: 25 °C (1) ACD
Molar Solubility 4.6 x 10-7 mol/L pH 7; Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.2 x 10-7 mol/L pH 8; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-6 mol/L pH 9; Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.8 x 10-6 mol/L pH 10; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 4.6 x 10-7 mol/L Te Wai Kore Kore Te pH 6.99; Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 669.72    
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 1.35±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD
Rōrahi Moara 494.4±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 12   (1) ACD
H Nga Kaiwhiwhi 13   (1) ACD
H Nga Kaituku 3   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 16   (1) ACD
rangitakiP 4.763±0.722 Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 669.72    

(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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