C38H37N3O8 Ko Tii Ti sọtọ
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 663.72 | - |
| iwuwo (Asọtẹlẹ) | 1.304 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 8.27± 0.10 | Pupọ Epo otutu: 25 °C |
SILES 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
ISOMERIC SMILES
C (OC[C@H] 1O[C@H](C[C@@H] 1O)N2C=C
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
,33+,34+/m0/s1
InChi Key
NZBGRVLZISPURB-LBFZIJHGSA-N
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Awọn ohun-ini ti o wa |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 5250 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5250 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5260 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5260 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5250 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 5200 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 4720 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2460 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 466 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 96.9 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 16000 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 16000 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 15800 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 14400 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7510 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1420 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 296 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 5.20 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.20 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.19 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.15 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.87 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.15 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.46 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 5.198 ± 0.644 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 9.3 x 10-6 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.3 x 10-6 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-5 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.0 x 10-5 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-4 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-5 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,4 x 10-8 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-8 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-8 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.0 x 10-8 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-7 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.7 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-8 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Òṣuwọn Molikula | 663.72 | ||
| pKa | 8.27± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | -1.66 ± 0.20 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1.304 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 508,6 ± 3,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 13 | (1) ACD | |
| H Awọn olugba | 11 | (1) ACD | |
| H Awọn oluranlọwọ | 3 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 5.198 ± 0.644 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 663.72 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 136 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
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