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

imveliso

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

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iimpawu ezibonakalayo

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 548.56 -
Indawo yokunyibilika (yoMfuniselo) 118-120 °C -
Ukuxinana (Kuqikelelwe) 1.38±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 9.39±0.10 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical 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
Isomeric Uncumo 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
Isitshixo se-InchI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Elinye iGama lesi Sithombo
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)

Iipropati zoMfuniselo

Iipropati ezikhoyo
Thermal

Thermal

Ipropati Ixabiso Imeko Umthombo
Indawo yokunyibilika 118-120 °C (1) I-CAS

(1) ePenjarla, eSrishylam;IiNucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus

ISpectra yoMfuniselo

ISpectra ekhoyo
1H NMR
13C NMR

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 3580 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 4;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3580 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3570 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3430 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2500 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 689 pH 10;Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ikhemikhali

Ipropati Ixabiso Imeko Umthombo
Koc 12200 pH 1;Ubushushu: 25 °C (1) ACD
Koc 12200 pH 2;Ubushushu: 25 °C (1) ACD
Koc 12200 pH 3;Ubushushu: 25 °C (1) ACD
Koc 12200 pH 4;Ubushushu: 25 °C (1) ACD
Koc 12200 pH 5;Ubushushu: 25 °C (1) ACD
Koc 12200 pH 6;Ubushushu: 25 °C (1) ACD
Koc 12100 pH 7;Ubushushu: 25 °C (1) ACD
Koc 11700 pH 8;Ubushushu: 25 °C (1) ACD
Koc 8480 pH 9;Ubushushu: 25 °C (1) ACD
Koc 2340 pH 10;Ubushushu: 25 °C (1) ACD
logD 4.98 pH 1;Ubushushu: 25 °C (1) ACD
logD 4.98 pH 2;Ubushushu: 25 °C (1) ACD
logD 4.98 pH 3;Ubushushu: 25 °C (1) ACD
logD 4.98 pH 4;Ubushushu: 25 °C (1) ACD
logD 4.98 pH 5;Ubushushu: 25 °C (1) ACD
logD 4.98 pH 6;Ubushushu: 25 °C (1) ACD
logD 4.98 pH 7;Ubushushu: 25 °C (1) ACD
logD 4.96 pH 8;Ubushushu: 25 °C (1) ACD
logD 4.82 pH 9;Ubushushu: 25 °C (1) ACD
logD 4.26 pH 10;Ubushushu: 25 °C (1) ACD
logP 4.979±0.563 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 9.9 x 10-5 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 9.9 x 10-5 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.4 x 10-4 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.0 x 10-4 g/L pH 10;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kobuninzi 9.9 x 10-5 g/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 1.8 x 10-7 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.5 x 10-7 mol / L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 9.2 x 10-7 mol/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 548.56    
pKa 9.39±0.10 Eyona Temp iAcidic Temp: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ukuxinana

Ipropati Ixabiso Imeko Umthombo
Ukuxinana 1.38±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD
Umthamo weMolar 395.8±5.0 cm3/mol Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 10   (1) ACD
H Abamkeli 9   (1) ACD
H Abaxhasi 2   (1) ACD
H Umnikeli/uMamkeli Isambuku 11   (1) ACD
logP 4.979±0.563 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 548.56    

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso

Imeko

Umthombo
Indawo yePolar Surface 107 A2 (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo
1H NMR
13C NMR


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