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

umkhiqizo

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

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Izici ezingokomzimba

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 548.56 -
I-Melting Point (Eyokuhlola) 118-120 °C -
Ukuminyana (Kubikezelwe) 1.38±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr
pKa (Kubikezelwe) 9.39±0.10 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical AMAMOTHEKA 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
I-Isomeric SMILES 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
I-InChI
I-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
Ukhiye we-InchI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Elinye Igama lale nto
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)

Izakhiwo Zokuhlola

Izakhiwo ezitholakalayo
Okushisayo

Okushisayo

Impahla Inani Isimo Umthombo
I-Melting Point 118-120 °C (1) I-CAS

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

I-Spectra yokuhlola

I-Spectra iyatholakala
1H NMR
13C NMR

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 3580 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3580 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3580 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3570 pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 3430 pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2500 pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 689 pH 10;Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 12200 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
Koc 12200 pH 2;Izinga lokushisa: 25 °C (1) ACD
Koc 12200 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
Koc 12200 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
Koc 12200 pH 5;Izinga lokushisa: 25 °C (1) ACD
Koc 12200 pH 6;Izinga lokushisa: 25 °C (1) ACD
Koc 12100 pH 7;Izinga lokushisa: 25 °C (1) ACD
Koc 11700 pH 8;Izinga lokushisa: 25 °C (1) ACD
Koc 8480 pH 9;Izinga lokushisa: 25 °C (1) ACD
Koc 2340 pH 10;Izinga lokushisa: 25 °C (1) ACD
logD 4.98 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
logD 4.98 pH 2;Izinga lokushisa: 25 °C (1) ACD
logD 4.98 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
logD 4.98 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
logD 4.98 pH 5;Izinga lokushisa: 25 °C (1) ACD
logD 4.98 pH 6;Izinga lokushisa: 25 °C (1) ACD
logD 4.98 pH 7;Izinga lokushisa: 25 °C (1) ACD
logD 4.96 pH 8;Izinga lokushisa: 25 °C (1) ACD
logD 4.82 pH 9;Izinga lokushisa: 25 °C (1) ACD
logD 4.26 pH 10;Izinga lokushisa: 25 °C (1) ACD
logP 4.979±0.563 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 9.9 x 10-5 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 9.9 x 10-5 g/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.4 x 10-4 g/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.0 x 10-4 g/L pH 10;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Mass Solubility 9.9 x 10-5 g/L Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 1.8 x 10-7 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.5 x 10-7 mol/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 9.2 x 10-7 mol/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.8 x 10-7 mol/L Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 548.56    
pKa 9.39±0.10 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ukuminyana

Impahla Inani Isimo Umthombo
Ukuminyana 1.38±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 395.8±5.0 cm3/mol Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Lipinski

Impahla Inani Isimo Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile 10   (1) ACD
H Abamukelayo 9   (1) ACD
H Abaxhasi 2   (1) ACD
H Isamba Somnikeli/Umamukeli 11   (1) ACD
logP 4.979±0.563 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 548.56    

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okuhlobene Nesakhiwo

Impahla Inani

Isimo

Umthombo
Indawo ye-Polar Surface 107 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Spectra ebikezelwe

I-Spectra iyatholakala
1H NMR
13C NMR


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