C38H37N3O8 sinaperekedwe
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 663.72 | - |
Kachulukidwe (Zonenedweratu) | 1.304±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
pKa (Zonenedweratu) | 8.27±0.10 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
Isomeric AMAmwetulira
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChi
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8 -12-26,28-15-19-30(47-2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39-22-25-9-5-3-6-10-25/h3-20,23,32-34, 42H,21-22,24H2,1-2H3,(H,39,43)(H,40,44,45)/t32-
,33+,34+/m0/s1
InChi Key
NZBGRVLZISPURB-LBFZIJHGSA-N
Katundu zilipo |
Zachilengedwe |
Katundu zilipo |
Chemical |
Kuchulukana |
Lipinski |
Zogwirizana ndi Kapangidwe |
Zachilengedwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 5250 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 5250 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 5260 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 5260 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 5250 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 5200 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 4720 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2460 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 466 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 96.9 | 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 | 16000 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 16000 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 16000 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 16000 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 16000 | pH 5; Kutentha: 25 ° C | (1) ACD |
Koc | 15800 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 14400 | pH 7; Kutentha: 25 ° C | (1) ACD |
Koc | 7510 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 1420 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 296 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 5.20 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 5.20 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 5.20 | pH 3; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
logD | 5.20 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 5.20 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 5.19 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | 5.15 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | 4.87 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | 4.15 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | 3.46 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 5.198±0.644 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 9.3 x 10-6 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 9.3 x 10-6 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 9.3 x 10-6 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 9.3 x 10-6 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 9.3 x 10-6 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 9.3 x 10-6 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 9.3 x 10-6 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 1.1 x 10-5 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 2.0 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 | 5.1 x 10-4 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 1.1 x 10-5 g/L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 1.4 x 10-8 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-8 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.0 x 10-8 mol/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-7 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 7.7 x 10-7 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-8 mol / L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Kulemera kwa Maselo | 663.72 | ||
pKa | 8.27±0.10 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
pKa | -1.66±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)
Kuchulukana
Katundu | Mtengo | Mkhalidwe | Gwero |
Kuchulukana | 1.304±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volume | 508.6±3.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (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 | 13 | (1) ACD | |
H Olandira | 11 | (1) ACD | |
H Opereka | 3 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 14 | (1) ACD | |
logP | 5.198±0.644 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 663.72 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Malo a Polar Surface | 136 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR