C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)phosphor amidite] (ACI)
Nambala ya Registry ya CAS
163878-63-5
H302
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 818.89 | - |
pKa (Zonenedweratu) | 9.55±0.10 | Kutentha Kwambiri kwa Acid: 25 ° C |
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
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)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5= CC=CC=C5
InChi
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
InChi Key
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Maina ena a chinthu ichi
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 TSAMBA: 18 amati RNA; 11: PN: US20030211606 TSAMBA: 18 amati RNA; 13: PN: US20040
005569 TSAMBA: 21 amati RNA; 13: PN: US20040006030 TSAMBA: 22 amati RNA; 13: PN: US20040014048 TSAMBA: 19 amati RNA; 13: PN: US20040014049 TSAMBA: 19 amati RNA; 14: PN: US20030198965 TSAMBA: 19 amati RNA; 14: PN: US20040005565 TSAMBA: 17- 22 amati RNA; 14: PN: US20040005570 TSAMBA: 19 amati RNA; 14: PN: US20040014047 TSAMBA: 19 amati RNA; 14: PN: US20040
014699 TSAMBA: 19 amati RNA; 15: PN: US20040014050 TSAMBA: 19 amati RNA; 15: PN: US20040014051 TSAMBA: 21 amati RNA; 15:
PN: WO03106645 TSAMBA: 69 amati RNA; 16: PN: US20040006029 TSAMBA: 22 amati RNA; 87: PN: US20040005707 TSAMBA: 19 amati RNA
Spectra ilipo
1H NMR
13 C NMR
Hetero NMR
Katundu zilipo
Zachilengedwe
Chemical
Lipinski
Zogwirizana ndi Kapangidwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 348 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2810 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 21100 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 63100 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 78800 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 80800 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 80800 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 78800 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 63400 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 21800 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 487 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 3940 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 29600 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 88400 | pH 4; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 1.10 x 105 | pH 5; Kutentha: 25 ° C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Kutentha: 25 ° C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 88800 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 30600 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 4.39 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 5.30 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 6.18 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | 6.65 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 6.75 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 6.76 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | 6.76 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | 6.75 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | 6.65 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | 6.19 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 6.761±0.669 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 2.0 x 10-4 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.046 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.7 x 10-3 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 7.6 x 10-4 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.5 x 10-4 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.0 x 10-4 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.0 x 10-4 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.0 x 10-4 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.0 x 10-4 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.5 x 10-4 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 7.4 x 10-4 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.0 x 10-4 g/L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 2.4 x 10-7 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.6 x 10-5 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 7.0 x 10-6 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Molar Solubility | 9.3 x 10-7 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.1 x 10-7 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.1 x 10-7 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 9.0 x 10-7 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol / L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 818.89 | ||
pKa | 9.55±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)
Katundu | Mtengo | Mkhalidwe | Gwero |
Ma Bond Osinthasintha Mwaulere | 21 | (1) ACD | |
H Olandira | 14 | (1) ACD | |
H Opereka | 1 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 15 | (1) ACD | |
logP | 6.761±0.669 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 818.89 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Condition Source |
Malo a Polar Surface | 164 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13 C NMR
Gwero la Chidziwitso Chowopsa cha Code | |
H302 Zowopsa ngati zitamezedwa | European Chemical Agency (ECHA) Classification & Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi kulemba - zidziwitso zazikulu kwambiri |