C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

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C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 548.56 -
Ira Whakarewa (Whakamatau) 118-120 °C -
Kiato (I Matapaetia) 1.38±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)C2F
NGĀ ATA ISOMER C(OC[C@H]1O[C@H]([C@H](F)[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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Kī InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ētahi atu Ingoa mō tēnei matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)

Ngā Āhuatanga Whakamātautau

Nga rawa e waatea ana
Ngawha

Ngawha

Taonga Uara Tikanga Puna
Te Whakarewarewa 118-120 °C (1) CAS

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

Spectra Whakamatau

Kei te waatea te Spectra
1H NMR
13C NMR

Nga Taonga Matapae

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

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 3580 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3580 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3580 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3580 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3580 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3580 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3570 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3430 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2500 pH 9;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 689 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 12200 pH 1;Te Mahana: 25 °C (1) ACD
Koc 12200 pH 2;Te Mahana: 25 °C (1) ACD
Koc 12200 pH 3;Te Mahana: 25 °C (1) ACD
Koc 12200 pH 4;Te Mahana: 25 °C (1) ACD
Koc 12200 pH 5;Te Mahana: 25 °C (1) ACD
Koc 12200 pH 6;Te Mahana: 25 °C (1) ACD
Koc 12100 pH 7;Te Mahana: 25 °C (1) ACD
Koc 11700 pH 8;Te Mahana: 25 °C (1) ACD
Koc 8480 pH 9;Te Mahana: 25 °C (1) ACD
Koc 2340 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiD 4.98 pH 1;Te Mahana: 25 °C (1) ACD
rangitakiD 4.98 pH 2;Te Mahana: 25 °C (1) ACD
rangitakiD 4.98 pH 3;Te Mahana: 25 °C (1) ACD
rangitakiD 4.98 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD 4.98 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD 4.98 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD 4.98 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD 4.96 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD 4.82 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD 4.26 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiP 4.979±0.563 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 9.9 x 10-5 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 7;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 9.9 x 10-5 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.4 x 10-4 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 5.0 x 10-4 g/L pH 10;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Wairewa Papatipu 9.9 x 10-5 g/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 1.8 x 10-7 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 1;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 4;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.5 x 10-7 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 9.2 x 10-7 mol/L pH 10;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD
Taumaha Molecular 548.56    
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 1.38±0.1 g/cm3 Te Mahana: 20 °C;Perehi: 760 Torr (1) ACD
Rōrahi Moara 395.8±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 10   (1) ACD
H Nga Kaiwhiwhi 9   (1) ACD
H Nga Kaituku 2   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 11   (1) ACD
rangitakiP 4.979±0.563 Te Mahana: 25 °C (1) ACD
Taumaha Molecular 548.56    

(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 107 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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