Ekenyebeghị C38H37N3O8
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 663.72 | - |
| Njupụta (buru amụma) | 1.304±0.06 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr |
| pKa (buru amụma) | 8.27± 0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES 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 (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 Igodo
NZBGRVLZISPURB-LBFZIJHGSA-N
| Ngwongwo dị |
| Usoro ndu |
| Ngwongwo dị |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 5250 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 5250 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 5260 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 5260 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 5250 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 5200 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 4720 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2460 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 466 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 96.9 | 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 | 16000 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 16000 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 16000 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 16000 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 16000 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 15800 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 14400 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7510 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1420 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 296 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.20 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.20 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.20 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 5.20 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.20 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.19 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.15 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.87 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.15 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.46 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 5.198± 0.644 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 9.3 x 10-6 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.3 x 10-6 g/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.3 x 10-6 g/L | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.3 x 10-6 g/L | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.3 x 10-6 g/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.3 x 10-6 g/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.3 x 10-6 g/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-5 g/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.0 x 10-5 g/L | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-4 g/L | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.1 x 10-4 g/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-5 g/L | Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.4 x 10-8 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol / l | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol / l | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol / l | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol / l | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol / l | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol / l | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-8 mol/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.0 x 10-8 mol / l | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-7 mol / l | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.7 x 10-7 mol/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-8 mol/L | Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ibu molekụla | 663.72 | ||
| pKa | 8.27± 0.10 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -1.66±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 | 1.304±0.06 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
| Olu Molar | 508.6± 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 | 5.198± 0.644 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 663.72 |
(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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