Ekenyebeghị C42H39N3O8
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 713.78 | - |
| Njupụta (buru amụma) | 1.315±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 8.23± 0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC) )C=C6)C7=CC=C(OC)C=C7)C(O)C4
Isomeric SMILES
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChi
InChi=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51- 2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43 -24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
Igodo InChi
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Ngwongwo dị |
| Usoro ndu |
| Ngwongwo dị |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 41700 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 41700 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 41700 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 41700 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 41700 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 41200 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 36900 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 18100 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 3290 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 718 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 70600 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 70600 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 70600 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 70600 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 70500 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 69700 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 62400 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 30600 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 5560 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1210 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.38 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.38 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.38 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 6.38 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.38 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.38 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.33 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.02 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.28 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.62 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 6.382± 0.644 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 5.1 x 10-7 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.1 x 10-7 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.1 x 10-7 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.1 x 10-7 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.1 x 10-7 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.1 x 10-7 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.1 x 10-7 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.7 x 10-7 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-6 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 6.4 x 10-6 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.9 x 10-5 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.7 x 10-7 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 7.1 x 10-10 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.2 x 10-10 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-9 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 9.0 x 10-9 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.1 x 10-8 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol / l | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ibu molekụla | 713.78 | ||
| pKa | 8.23± 0.10 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -1.90±0.20 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.315±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 542.7± 3.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 13 | (1) ACD | |
| H Ndị nnabata | 11 | (1) ACD | |
| H Ndị na-enye onyinye | 3 | (1) ACD | |
| H Donor/Anabata Nchikota | 14 | (1) ACD | |
| logP | 6.382± 0.644 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 713.78 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 136 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
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