C38H37N3O8 Kaore ano kia Whakaritea
Nga Ahuatanga Tinana Matua | Uara | Tikanga |
Taumaha rāpoi | 663.72 | - |
Kiato (I Matapaetia) | 1.304±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
pKa (I matapaetia) | 8.27±0.10 | Te Mahana Waiwawa Nui: 25 °C |
Nga Ataata Canonical 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
NGĀ ATA ISOMERIKA
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
Kī InChI
NZBGRVLZISPURB-LBFZIJHGSA-N
Nga rawa e waatea ana |
Koiora |
Nga rawa e waatea ana |
Te matū |
Kiato |
Lipinski |
Hanganga e Pa ana |
Koiora
Taonga | Uara | Tikanga | Puna |
Tauwehe Bioconcentration | 5250 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 5250 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 5260 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 5260 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 5250 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 5200 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 4720 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 2460 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 466 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 96.9 | pH 10; Te Mamahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
Taonga | Uara | Tikanga | Puna |
Koc | 16000 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Koc | 16000 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Koc | 16000 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Koc | 16000 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Koc | 16000 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Koc | 15800 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Koc | 14400 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Koc | 7510 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Koc | 1420 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Koc | 296 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 5.20 | pH 1; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 5.20 | pH 2; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 5.20 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
rangitakiD | 5.20 | pH 4; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 5.20 | pH 5; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 5.19 | pH 6; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 5.15 | pH 7; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.87 | pH 8; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 4.15 | pH 9; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | 3.46 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiP | 5.198±0.644 | Te Mamahana: 25 °C | (1) ACD |
Te Wairewa o roto | 9.3 x 10-6 g/L | Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.3 x 10-6 g/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.3 x 10-6 g/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.3 x 10-6 g/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.3 x 10-6 g/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.3 x 10-6 g/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 9.3 x 10-6 g/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.1 x 10-5 g/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 2.0 x 10-5 g/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.1 x 10-4 g/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.1 x 10-4 g/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 1.1 x 10-5 g/L | Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 1.4 x 10-8 mol/L | Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.4 x 10-8 mol/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.6 x 10-8 mol/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 3.0 x 10-8 mol/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.6 x 10-7 mol/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 7.7 x 10-7 mol/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 1.6 x 10-8 mol/L | Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Taumaha rāpoi | 663.72 | ||
pKa | 8.27±0.10 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
pKa | -1.66±0.20 | Te Mahana Matua: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
Taonga | Uara | Tikanga | Puna |
Kiato | 1.304±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
Rōrahi Moara | 508.6±3.0 cm3/mol | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Taonga | Uara | Tikanga | Puna |
Nga here e taea te huri noa | 13 | (1) ACD | |
H Nga Kaiwhiwhi | 11 | (1) ACD | |
H Nga Kaituku | 3 | (1) ACD | |
H Tapeke Kaituku/Kaiwhiwhi | 14 | (1) ACD | |
rangitakiP | 5.198±0.644 | Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 663.72 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
Taonga | Uara | Tikanga | Puna |
Rohe Mata Polar | 136 A2 | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR