C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- i-methylethyl)phosphor amidite] (ACI)

umkhiqizo

C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- i-methylethyl)phosphor amidite] (ACI)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

Inombolo Yokubhalisa ye-CAS

163878-63-5

H302

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 818.89 -
pKa (Kubikezelwe) 9.55±0.10 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical SMILES

N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C

I-Isomeric SMILES

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5= CC=CC=C5

I-InChI

I-InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26- 25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15) -19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1

Ukhiye we-InchI

YFRRKZDUDXHJNC-KZQAAKLLSA-N

17 Amanye Amagama Alesi Sitho

Uridine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphor

amidite] (9CI);10: PN: US20030212017 IKHASI: Abangu-18 bafuna i-RNA;11: PN: US20030211606 IKHASI: Abangu-18 bafuna i-RNA;13: PN: US20040

005569 IKHASI: Ama-21 afuna i-RNA;13: PN: US20040006030 IKHASI: Abangu-22 bafuna i-RNA;13: PN: US20040014048 IKHASI: Abangu-19 bafuna i-RNA;13: PN: US20040014049 IKHASI: Abangu-19 bafuna i-RNA;14: PN: US20030198965 IKHASI: Abangu-19 bafuna i-RNA;14: PN: US20040005565 IKHASI: 17- 22 bafuna i-RNA;14: PN: US20040005570 IKHASI: Abangu-19 bafuna i-RNA;14: PN: US20040014047 IKHASI: Abangu-19 bafuna i-RNA;14: PN: US20040

014699 IKHASI: Abangu-19 abafunwa i-RNA;15: PN: US20040014050 IKHASI: Abangu-19 bafuna i-RNA;15: PN: US20040014051 IKHASI: Abangu-21 bafuna i-RNA;15:

PN: WO03106645 IKHASI: Abangu-69 abafunwa i-RNA;16: PN: US20040006029 IKHASI: Abangu-22 bafuna i-RNA;87: PN: US20040005707 IKHASI: 19 okufunwa i-RNA

I-Spectra yokuhlola

I-Spectra iyatholakala
1 H NMR
13 C NMR
I-Hetero NMR

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
I-Lipinski
Okuhlobene Nesakhiwo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 348 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2810 pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 21100 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 63100 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 78800 pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 80800 pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 80800 pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 78800 pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 63400 pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 21800 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 487 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
Koc 3940 pH 2;Izinga lokushisa: 25 °C (1) ACD
Koc 29600 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
Koc 88400 i-pH 4;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 1.10 x 105 pH 5;Izinga lokushisa: 25 °C (1) ACD
Koc 1.13 x 105 pH 6;Izinga lokushisa: 25 °C (1) ACD
Koc 1.13 x 105 pH 7;Izinga lokushisa: 25 °C (1) ACD
Koc 1.10 x 105 pH 8;Izinga lokushisa: 25 °C (1) ACD
Koc 88800 pH 9;Izinga lokushisa: 25 °C (1) ACD
Koc 30600 pH 10;Izinga lokushisa: 25 °C (1) ACD
logD 4.39 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
logD 5.30 pH 2;Izinga lokushisa: 25 °C (1) ACD
logD 6.18 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
logD 6.65 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
logD 6.75 pH 5;Izinga lokushisa: 25 °C (1) ACD
logD 6.76 pH 6;Izinga lokushisa: 25 °C (1) ACD
logD 6.76 pH 7;Izinga lokushisa: 25 °C (1) ACD
logD 6.75 pH 8;Izinga lokushisa: 25 °C (1) ACD
logD 6.65 pH 9;Izinga lokushisa: 25 °C (1) ACD
logD 6.19 pH 10;Izinga lokushisa: 25 °C (1) ACD
logP 6.761±0.669 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 2.0 x 10-4 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.046 g/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.7 x 10-3 g/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 7.6 x 10-4 g/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.5 x 10-4 g/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.0 x 10-4 g/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.0 x 10-4 g/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.0 x 10-4 g/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.0 x 10-4 g/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.5 x 10-4 g/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 7.4 x 10-4 g/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 2.0 x 10-4 g/L Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 2.4 x 10-7 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.6 x 10-5 mol/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 7.0 x 10-6 mol/L pH 2;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 9.3 x 10-7 mol/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.1 x 10-7 mol/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.5 x 10-7 mol/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.4 x 10-7 mol/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.4 x 10-7 mol/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.5 x 10-7 mol/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.1 x 10-7 mol/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 9.0 x 10-7 mol/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.4 x 10-7 mol/L Amanzi Angenabuffered pH 7.00;Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 818.89    
pKa 9.55±0.10 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa 3.45±0.70 Izinga Lokushisa Eziyisisekelo: 25 °C (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 21   (1) ACD
H Abamukelayo 14   (1) ACD
H Abaxhasi 1   (1) ACD
H Isamba Somnikeli/Umamukeli 15   (1) ACD
logP 6.761±0.669 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 818.89    

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

Okuhlobene Nesakhiwo

Impahla Inani Umthombo Wesimo
Indawo ye-Polar Surface 164 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
1 H NMR
13 C NMR

Izitatimende Zengozi ye-GHS

Umthombo Wesitatimende Sengozi Yekhodi
H302 Iyingozi uma igwinywe I-European Chemical Agency (ECHA) Classification&Labelling

I-Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, i-European Chemical Agency (ECHA)

Ukuhlelwa Nokufakwa Kwelebula - Izigaba ezaziswe nokulebula - izaziso ezibucayi kakhulu


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