118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)

alaabta

118 Re36H44N2O8Si Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

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Tilmaamaha jirka

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 660.83 -
Cufnaanta (La saadaaliyay) 1.24± 0.1 g/cm3 Heerkulka: 20 °C; Riix: 760 Torr
pKa (La saadaaliyay) 9.39±0.10 Heerkulka ugu acidic badan: 25 °C

Magacyada iyo Aqoonsiyada Kale

Dhoola caddaynta 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)C2O[Si](C)(C)C(C)(C)C
Dhoola-caddeyn
C (OC[C@H]1O[C@H]([C@H](O[Si](C =O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28( 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
Furaha InChi
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Magacyo kale oo Walaxdan ah
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimetoxytril)uridine

Tijaabada Spectra

Spectra waa la heli karaa
1H NMR
13C NMR
Hetero NMR
Mass

Guryaha la saadaaliyay

Guryaha la heli karo
Nafley
Kiimiko
Cufnaanta
Lipinski
Qaab-dhismeedka La Xiriira

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 2.21 x 105 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.21 x 105 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.21 x 105 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.21 x 105 pH 4; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.21 x 105 pH 5; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.21 x 105 pH 6; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.20 x 105 pH 7; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.12 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.54 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 42500 pH 10; Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kiimiko

Hanti Qiimaha Xaalad Xigasho
Koc 2.33 x 105 pH 1; Heerkulka: 25 °C (1) ACD
Koc 2.33 x 105 pH 2; Heerkulka: 25 °C (1) ACD
Koc 2.33 x 105 pH 3; Heerkulka: 25 °C (1) ACD
Koc 2.33 x 105 pH 4; Heerkulka: 25 °C (1) ACD
Koc 2.33 x 105 pH 5; Heerkulka: 25 °C (1) ACD
Koc 2.33 x 105 pH 6; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Koc 2.32 x 105 pH 7; Heerkulka: 25 °C (1) ACD
Koc 2.23 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Koc 1.62 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Koc 44800 pH 10; Heerkulka: 25 °C (1) ACD
logD 7.33 pH 1; Heerkulka: 25 °C (1) ACD
logD 7.33 pH 2; Heerkulka: 25 °C (1) ACD
logD 7.33 pH 3; Heerkulka: 25 °C (1) ACD
logD 7.33 pH 4; Heerkulka: 25 °C (1) ACD
logD 7.33 pH 5; Heerkulka: 25 °C (1) ACD
logD 7.33 pH 6; Heerkulka: 25 °C (1) ACD
logD 7.33 pH 7; Heerkulka: 25 °C (1) ACD
logD 7.32 pH 8; Heerkulka: 25 °C (1) ACD
logD 7.18 pH 9; Heerkulka: 25 °C (1) ACD
logD 6.62 pH 10; Heerkulka: 25 °C (1) ACD
logP 7.334±0.643 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 3.5 x 10-5 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L pH 1; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L pH 2; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L pH 3; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L pH 4; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L pH 5; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L pH 6; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L pH 7; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.6 x 10-5 g/L pH 8; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.0 x 10-5 g/L pH 9; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.9 x 10-4 g/L pH 10; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.5 x 10-5 g/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 5.3 x 10-8 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 4; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 5.3 x 10-8 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.5 x 10-8 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 7.6 x 10-8 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.8 x 10-7 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 660.83    
pKa 9.39±0.10 Heerkulka ugu acidic badan: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Cufnaanta

Hanti Qiimaha Xaalad Xigasho
Cufnaanta 1.24± 0.1 g/cm3 Heerkulka: 20 °C; Riix: 760 Torr (1) ACD
Mugga Molar 528.8± 5.0 cm3 / mol Heerkulka: 20 °C; Riix: 760 Torr (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Hanti Qiimaha Xaalad Xigasho
Boondhigyo si xor ah loo wareejin karo 13   (1) ACD
H Aqbalayaasha 10   (1) ACD
H Deeq-bixiyayaasha 2   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 12   (1) ACD
logP 7.334±0.643 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 660.83    

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qaab-dhismeedka La Xiriira

Hanti Qiimaha

Xaalad

Xigasho
Aagga dusha sare ee Polar 116 A2 (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra la saadaaliyay

Spectra waa la heli karaa
1H NMR
13C NMR


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