C38H37N3O8 Wali lama magacaabin
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 663.72 | - |
Cufnaanta (La saadaaliyay) | 1.304±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 8.27±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola caddaynta 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
Dhoola-caddeyn
C (OC[C@H]1O[C@H](C[C@@H]1O)N2C=C (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 42H,21-22,24H2,1-2H3,(H,39,43)(H,40,44,45)/t32-
,33+,34+/m0/s1
Furaha InChi
NZBGRVLZISPURB-LBFZIJHGSA-N
Guryaha la heli karo |
Nafley |
Guryaha la heli karo |
Kiimiko |
Cufnaanta |
Lipinski |
Qaab-dhismeedka La Xiriira |
Nafley
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 5250 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 5250 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 5260 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 5260 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 5250 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 5200 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 4720 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2460 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 466 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 96.9 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 16000 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 16000 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 16000 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 16000 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 16000 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 15800 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 14400 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 7510 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 1420 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 296 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 5.20 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 5.20 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 5.20 | pH 3; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
logD | 5.20 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 5.20 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 5.19 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 5.15 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 4.87 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 4.15 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 3.46 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 5.198± 0.644 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 9.3 x 10-6 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.3 x 10-6 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.3 x 10-6 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.3 x 10-6 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.3 x 10-6 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.3 x 10-6 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 9.3 x 10-6 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.1 x 10-5 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.0 x 10-5 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.1 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.1 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.1 x 10-5 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 1.4 x 10-8 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-8 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-8 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-8 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-8 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-8 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-8 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-8 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.0 x 10-8 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 7.7 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-8 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Miisaanka Molecular | 663.72 | ||
pKa | 8.27±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | -1.66±0.20 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
Hanti | Qiimaha | Xaalad | Xigasho |
Cufnaanta | 1.304±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 508.6 ± 3.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 13 | (1) ACD | |
H Aqbalayaasha | 11 | (1) ACD | |
H Deeq-bixiyayaasha | 3 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 14 | (1) ACD | |
logP | 5.198± 0.644 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 663.72 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Aagga dusha sare ee Polar | 136 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR