C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)

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C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 601.65 -
Kiato (I Matapaetia) 1.28±0.1 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr
pKa (I Matapaetia) 10.19±0.20 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

MATE O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
NGĀ ATA ISOMER C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)N=C(NC(C)=O)C =C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20- 43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17- 13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31-/m1/s1
Kī InChI
FINUHOJILDNELQ-PMFUCWTESA-N
1 Ētahi atu Ingoa mō tēnei matū
N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylcytidine (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 8.87 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 27.8 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 171 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 515 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 650 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 668 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 668 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 657 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 560 pH 9;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 229 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 48.6 pH 1;Te Mahana: 25 °C (1) ACD
Koc 152 pH 2;Te Mahana: 25 °C (1) ACD
Koc 935 pH 3;Te Mahana: 25 °C (1) ACD
Koc 2820 pH 4;Te Mahana: 25 °C (1) ACD
Koc 3560 pH 5;Te Mahana: 25 °C (1) ACD
Koc 3660 pH 6;Te Mahana: 25 °C (1) ACD
Koc 3660 pH 7;Te Mahana: 25 °C (1) ACD
Koc 3600 pH 8;Te Mahana: 25 °C (1) ACD
Koc 3070 pH 9;Te Mahana: 25 °C (1) ACD
Koc 1250 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiD 2.14 pH 1;Te Mahana: 25 °C (1) ACD
rangitakiD 2.64 pH 2;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
rangitakiD 3.43 pH 3;Te Mahana: 25 °C (1) ACD
rangitakiD 3.91 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD 4.01 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD 4.02 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD 4.02 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD 4.01 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD 3.94 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD 3.55 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiP 4.021±0.768 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 1.3 x 10-3 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 0.10 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 0.032 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 5.2 x 10-3 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.7 x 10-3 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.4 x 10-3 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.3 x 10-3 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.3 x 10-3 g/L pH 7;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.3 x 10-3 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.6 x 10-3 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.9 x 10-3 g/L pH 10;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.3 x 10-3 g/L Te Wai Kore Kore Te pH 6.99;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 2.2 x 10-6 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 1.7 x 10-4 mol/L pH 1;Te Mahana: 25 °C (1) ACD
Molar Solubility 5.3 x 10-5 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 8.6 x 10-6 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.9 x 10-6 mol/L pH 4;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.3 x 10-6 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.2 x 10-6 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.2 x 10-6 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.2 x 10-6 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.6 x 10-6 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 6.4 x 10-6 mol/L pH 10;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 2.2 x 10-6 mol/L Te Wai Kore Kore Te pH 6.99;Te Mahana: 25 °C (1) ACD
Taumaha Molecular 601.65    
pKa 10.19±0.20 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa 3.57±0.20 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 1.28±0.1 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr (1) ACD
Rōrahi Moara 466.5±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 11   (1) ACD
H Nga Kaiwhiwhi 11   (1) ACD
H Nga Kaituku 2   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 13   (1) ACD
rangitakiP 4.021±0.768 Te Mahana: 25 °C (1) ACD
Taumaha Molecular 601.65    

(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 128 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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