C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

mankhwala

C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

Zambiri Zoyambira:


Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Tsatanetsatane wa Mankhwala

Nambala ya Registry ya CAS

110764-79-9

H335, H331, H319, H315, H311, H301+H311+H331, H301

Zofunika Zathupi Mtengo   Mkhalidwe
Kulemera kwa Maselo 760.81   -
pKa (Zonenedweratu) 9.39±0.10   Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical SMILES

N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C

Isomeric AMAmwetulira

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

InChi

InChI= 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 , 1-7H3,

(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1

InChi Key

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Dzina Lina la chinthu ichi

Uridine, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)

Spectra ilipo

Misa

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Lipinski
Zogwirizana ndi Kapangidwe

Zachilengedwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 254 pH 1;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 2050 pH 2;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 15400 pH 3;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 46000 pH 4;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 57500 pH 5;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 58900 pH 6;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 58900 pH 7;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 56800 pH 8;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 42300 pH 9;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 12200 pH 10;Kutentha: 25 ° C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Katundu Mtengo Mkhalidwe Gwero
Koc 389 pH 1;Kutentha: 25 ° C (1) ACD
Koc 3140 pH 2;Kutentha: 25 ° C (1) ACD
Koc 23600 pH 3;Kutentha: 25 ° C (1) ACD
Koc 70500 pH 4;Kutentha: 25 ° C (1) ACD
Koc 88100 pH 5;Kutentha: 25 ° C (1) ACD
Koc 90300 pH 6;Kutentha: 25 ° C (1) ACD
Koc 90200 pH 7;Kutentha: 25 ° C (1) ACD
Koc 87100 pH 8;Kutentha: 25 ° C (1) ACD
Koc 64800 pH 9;Kutentha: 25 ° C (1) ACD
Koc 18700 pH 10;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
logD 4.21 pH 1;Kutentha: 25 ° C (1) ACD
logD 5.12 pH 2;Kutentha: 25 ° C (1) ACD
logD 6.00 pH 3;Kutentha: 25 ° C (1) ACD
logD 6.47 pH 4;Kutentha: 25 ° C (1) ACD
logD 6.57 pH 5;Kutentha: 25 ° C (1) ACD
logD 6.58 pH 6;Kutentha: 25 ° C (1) ACD
logD 6.58 pH 7;Kutentha: 25 ° C (1) ACD
logD 6.56 pH 8;Kutentha: 25 ° C (1) ACD
logD 6.44 pH 9;Kutentha: 25 ° C (1) ACD
logD 5.90 pH 10;Kutentha: 25 ° C (1) ACD
logP 6.581±0.646 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 8.4 x 10-5 g/L Kutentha: 25 ° C (1) ACD
Misa Solubility 0.019 g/L pH 1;Kutentha: 25 ° C (1) ACD
Misa Solubility 2.4 x 10-3 g/L pH 2;Kutentha: 25 ° C (1) ACD
Misa Solubility 3.1 x 10-4 g/L pH 3;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.1 x 10-4 g/L pH 4;Kutentha: 25 ° C (1) ACD
Misa Solubility 8.4 x 10-5 g/L pH 5;Kutentha: 25 ° C (1) ACD
Misa Solubility 8.4 x 10-5 g/L pH 6;Kutentha: 25 ° C (1) ACD
Misa Solubility 8.4 x 10-5 g/L pH 7;Kutentha: 25 ° C (1) ACD
Misa Solubility 8.4 x 10-5 g/L pH 8;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.1 x 10-4 g/L pH 9;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.0 x 10-4 g/L pH 10;Kutentha: 25 ° C (1) ACD
Misa Solubility 8.4 x 10-5 g/L Madzi Osasunthika pH 7.00;Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 1.1 x 10-7 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 2.5 x 10-5 mol / L pH 1;Kutentha: 25 ° C (1) ACD
Molar Solubility 3.1 x 10-6 mol / L pH 2;Kutentha: 25 ° C (1) ACD
Molar Solubility 4.1 x 10-7 mol / L pH 3;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.4 x 10-7 mol / L pH 4;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.1 x 10-7 mol / L pH 5;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.1 x 10-7 mol / L pH 6;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.1 x 10-7 mol / L pH 7;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.1 x 10-7 mol / L pH 8;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Molar Solubility 1.5 x 10-7 mol / L pH 9;Kutentha: 25 ° C (1) ACD
Molar Solubility 5.2 x 10-7 mol / L pH 10;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.1 x 10-7 mol / L Madzi Osasunthika pH 7.00;Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 760.81    
pKa 9.39±0.10 Kutentha Kwambiri kwa Acid: 25 ° C (1) ACD
pKa 3.45±0.70 Kutentha Kwambiri Kwambiri: 25 °C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Katundu Mtengo Mkhalidwe Gwero
Ma Bond Osinthasintha Mwaulere 18   (1) ACD
H Olandira 13   (1) ACD
H Opereka 1   (1) ACD
H Chiwerengero cha Wopereka / Wolandira 14   (1) ACD
logP 6.581±0.646 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 760.81    

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zogwirizana ndi Kapangidwe

Katundu Mtengo Condition Source
Malo a Polar Surface 155 a2 (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zoneneratu za Spectra

Spectra ilipo
1H NMR
13 C NMR

Zowopsa za GHS

Kodi Chidziwitso Chowopsa Gwero
H335 Zitha kuyambitsa kupsa mtima Katswiri Wosankhidwa
H331 Poizoni ngati atapuma Katswiri Wosankhidwa
H319 Zimayambitsa kupsa mtima kwakukulu Katswiri Wosankhidwa
H315 Zimayambitsa kuyabwa pakhungu Katswiri Wosankhidwa

 

Kodi Chidziwitso Chowopsa Gwero
H311 Poizoni pokhudzana ndi khungu Katswiri Wosankhidwa
H301+H311+H331 Poizoni akamezedwa, pokhudzana ndi khungu kapena atakoka mpweya Katswiri Wosankhidwa
H301 Poizoni akameza Katswiri Wosankhidwa

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