C42h39n3o8 hîn nehatiye destnîşankirin
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 713.78 | - |
| Dendik (texmîn kirin) | 1.315 ± 0.06 G / CM3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 8.23 ± 0.10 | Temana herî acid: 25 ° C |
Smiles Canonical O = C1NC (= o) n (C = C1C (= o) ncc2 = cc = cc = 3C = CC) (c6 = 5c = c = c6) c7 = cc = c (O) C7) C (O) C4
Isomeric bişirîn
C (OC [C @ H] 1o [C @ h] 1o) N2C = C (= cc) c = c5) (c6 = cc = c = c6) c 7 = cc = cc = c7
Inchi
Inchi = 1s / c42h39n3o8 / C1-50-32-19-15-30 (16-12-4-3-5-13-29,31-15-21-33 (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) 43-24-94 (27) 28/38,46h, 23-24,26h2,1-2h3, (h, 43,47) (H, 44,48,49) / T36-, 37 +, 38 + / M0 / S1
Keyeya Inchi
HdUmRqqRYjobf-yxwiycfasa-N
| Taybetmendiyên berdest |
| Bedirî |
| Taybetmendiyên berdest |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 41700 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 41700 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 41700 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 41700 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 41700 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 41200 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 36900 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 18100 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3290 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 718 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 70600 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 70600 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 70600 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 70600 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 70500 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 69700 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 62400 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 30600 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 5560 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1210 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 6.38 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 6.38 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 6.38 | PH 3; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logd | 6.38 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.38 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.38 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 6.33 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.02 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 5.28 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.62 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 6.382 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 5.1 x 10-7 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.1 x 10-7 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.1 x 10-7 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.1 x 10-7 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.1 x 10-7 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.1 x 10-7 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.1 x 10-7 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.7 x 10-7 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.1 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 6.4 x 10-6 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.9 x 10-5 G / L | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.7 x 10-7 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 7.1 x 10-10 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.1 x 10-10 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.1 x 10-10 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.1 x 10-10 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.1 x 10-10 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.1 x 10-10 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.2 x 10-10 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 8.0 x 10-10 Mol / L | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 9.0 x 10-9 MOL / L | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 4.1 x 10-8 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 8.0 x 10-10 Mol / L | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Giraniya molekul | 713.78 | ||
| pka | 8.23 ± 0.10 | Temana herî acid: 25 ° C | (1) ACD |
| pka | -1.90 ± 0.20 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.315 ± 0.06 G / CM3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 542.7 ± 3.0 cm3 / mol | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 13 | (1) ACD | |
| H qebûlkar | 11 | (1) ACD | |
| H Donors | 3 | (1) ACD | |
| H Donor / Qedexe | 14 | (1) ACD | |
| logp | 6.382 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 713.78 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 136 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
![L-ORNITHINAMIDE, L-VALL-N5- (aminocarbonyl) -N- [4- (HydroxyMethyl) Phenyl] - (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C30h28N2O7 6H-Furo [2 ', 3': 4,5] Pyrimidin-6 - Yek (4-Methoxy Phenyl) PhenyLmethoxy] Aci)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
