C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

mankhwala

C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-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

163759-94-2

Zofunika Zathupi Mtengo Mkhalidwe
Kulemera kwa Maselo 922.01 -
pKa (Zonenedweratu) 8.59±0.40 Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical SMILES

N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)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](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6

InChi

InChI= 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-) 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45( 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1

InChi Key

FIGVMLIIDVDSN-GICDFOIUSA-N

26 Maina ena a chinthu ichi

Cytidine,N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI);12: PN: WO03084478 TSAMBA: 57 amati DNA;14: PN: US20030170636 TSAMBA: 17 amati DNA;15: PN: U

S20030211606 TSAMBA: 19 amati DNA;15: PN: US20030212017 TSAMBA: 19 amati DNA;16: PN: US20040005569 TSAMBA: 22 amati DNA;17: PN: US20040006030 TSAMBA: 23 amati DNA;17: PN: US20040014049 TSAMBA: 20 amati DNA;18: PN: US20040014047 PAG E: 20 amati DNA;18: PN: US20040014048 TSAMBA: 20 amati DNA;18: PN: US20040014050 TSAMBA: 20 amati DNA;19: PN: U

S20030171313 TSAMBA: 9 amati ndi DNA;19: PN: US20030198965 TSAMBA: 20 amati DNA;19: PN: US20040005565 TSAMBA: 17- 22 amati DNA;19: PN: US20040005570 TSAMBA: 20 amati DNA;19: PN: US20040014051 TSAMBA: 22 amati DNA;20: PN: US20040014699 PAG

E: 20 amati DNA;21: PN: US20040006029 TSAMBA: 23 amati DNA;21: PN: WO03106645 TSAMBA: 72 amati DNA;61: PN: US20030

166592 TSAMBA: 15 amati DNA;7: PN: WO2005006958 TSAMBA: 62 amati DNA;84: PN: US20040171566 TSAMBA: 18 amati DNA;92:

PN: US20040005707 TSAMBA: 20 amati DNA;9: PN: WO2005007825 TSAMBA: 62 amati DNA;N4-Benzoyl-2'-Omethoxyethyl-5-Odimethoxytrityl-5-methylcytidine-3'-phosphoramidite;N4-Benzoyl-2'-O- methoxyethyl-5'-O-dimethoxytrityl-5-methylcytidine-3' - amidite

Experimental Spectra

Spectra ilipo
13 C NMR
Hetero NMR

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Lipinski
Zogwirizana ndi Kapangidwe

Zachilengedwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 171 pH 1;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1250 pH 2;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 47600 pH 3;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 6.44x105 pH 4;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.00x106 pH 5;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.00x106 pH 6;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.00x106 pH 7;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 7.79 x 105 pH 8;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.63x105 pH 9;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 30800 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 106 pH 1;Kutentha: 25 ° C (1) ACD
Koc 773 pH 2;Kutentha: 25 ° C (1) ACD
Koc 29500 pH 3;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Koc 3.99 x 105 pH 4;Kutentha: 25 ° C (1) ACD
Koc 8.02 x 105 pH 5;Kutentha: 25 ° C (1) ACD
Koc 8.70 x 105 pH 6;Kutentha: 25 ° C (1) ACD
Koc 8.16 x 105 pH 7;Kutentha: 25 ° C (1) ACD
Koc 4.83 x 105 pH 8;Kutentha: 25 ° C (1) ACD
Koc 1.01x105 pH 9;Kutentha: 25 ° C (1) ACD
Koc 19100 pH 10;Kutentha: 25 ° C (1) ACD
logD 4.48 pH 1;Kutentha: 25 ° C (1) ACD
logD 5.34 pH 2;Kutentha: 25 ° C (1) ACD
logD 6.92 pH 3;Kutentha: 25 ° C (1) ACD
logD 8.06 pH 4;Kutentha: 25 ° C (1) ACD
logD 8.36 pH 5;Kutentha: 25 ° C (1) ACD
logD 8.39 pH 6;Kutentha: 25 ° C (1) ACD
logD 8.37 pH 7;Kutentha: 25 ° C (1) ACD
logD 8.14 pH 8;Kutentha: 25 ° C (1) ACD
logD 7.46 pH 9;Kutentha: 25 ° C (1) ACD
logD 6.73 pH 10;Kutentha: 25 ° C (1) ACD
logP 8.401±0.723 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 1.4 x 10-4 g/L Kutentha: 25 ° C (1) ACD
Misa Solubility 1.1g/L pH 1;Kutentha: 25 ° C (1) ACD
Misa Solubility 0.16g/L pH 2;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.1 x 10-3 g/L pH 3;Kutentha: 25 ° C (1) ACD
Misa Solubility 3.0 x 10-4 g/L pH 4;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.5 x 10-4 g/L pH 5;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.4 x 10-4 g/L pH 6;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.5 x 10-4 g/L pH 7;Kutentha: 25 ° C (1) ACD
Misa Solubility 2.5 x 10-4 g/L pH 8;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.2 x 10-3 g/L pH 9;Kutentha: 25 ° C (1) ACD
Misa Solubility 6.3 x 10-3 g/L pH 10;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.5 x 10-4 g/L Madzi Osasunthika pH 6.97;Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 1.5 x 10-7 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 1.2 x 10-3 mol / L pH 1;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Molar Solubility 1.7 x 10-4 mol / L pH 2;Kutentha: 25 ° C (1) ACD
Molar Solubility 4.4 x 10-6 mol / L pH 3;Kutentha: 25 ° C (1) ACD
Molar Solubility 3.2 x 10-7 mol / L pH 4;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.6 x 10-7 mol / L pH 5;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.5 x 10-7 mol / L pH 6;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.6 x 10-7 mol / L pH 7;Kutentha: 25 ° C (1) ACD
Molar Solubility 2.7 x 10-7 mol / L pH 8;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.3 x 10-6 mol / L pH 9;Kutentha: 25 ° C (1) ACD
Molar Solubility 6.8 x 10-6 mol / L pH 10;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.6 x 10-7 mol / L Madzi Osasunthika pH 6.97;Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 922.01    
pKa 8.59±0.40 Kutentha Kwambiri kwa Acid: 25 ° C (1) ACD
pKa 3.87±0.20 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 22 (1) ACD
H Olandira 15 (1) ACD
H Opereka 1 (1) ACD
H Chiwerengero cha Wopereka / Wolandira 16 (1) ACD
logP 8.401±0.723 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 922.01

(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 176 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


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