C41H39NELO6 1-Pyrrolidinecarokyliclic acid, 2 - [[BIS (4-hydroxyl-, 9S, 4R, 4R, ACI)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 641.75 | - |
| Boiling Point (Gitagna) | 768.7 ± 60.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.237 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 14.50 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile O = C (Occ1c = 2C = cc = CC2C = CC31) N4C = C (OC) C = C7
Isomeric Smile C (OC [C @ H] 1n (C (Occ2C = CCP) C = C6) C7) C7) C7) C7) C7
Inchi
Inchi = 1s / C41H39NO6 / C1-45-33-20-16-29 (17-21-33) 41-5-11-28-32-32-32-32 (313) 25) 44) 47-27-39-37-37-14-8-8-6-3-35 (37) 36 )-7-7-9-9-3-32,31-32,330,150,,1- / 32 / S1 / S1
Yawe sa inchi
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2 ubang mga ngalan alang sa kini nga sangkap
1-Pyrrolidinecarboxyliclic acid, 2 - [[BIS (4-methoxypylethyl) Phenylmethoxy] metylety-, 9h-ylmetyl ester, (2s-trans) - (zCI); 9h-fluoren-9-ylmethyl (2s, 4r) -2 - [[BIS (4-methoxyphylsl) Phyrolyletarcoxylate (Aci)
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
| Sa teserminal |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Kimikal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 7.70 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 7.70 x 105 | Ph 10; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 8.29 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 8.29 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 8.289 ± 0.729 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 4.7 x 10-6 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 7.3 x 10-9 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 641.75 | ||
| pka | 14.50 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -3.24 ± 0.60 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
| Purni sa Vapor | 7.42 x 10-25 Torr | Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Density
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Density | 1.237 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 518.4 ± 3.0 cm3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Lipinski
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 12 | (1) ACD | |
| H Pagdawat | 7 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 8 | (1) ACD | |
| logP | 8.289 ± 0.729 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 641.75 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Dapit sa Polar sa Polar | 77.5 A2 | (1) ACD | |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Sa teserminal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Point Point | 768.7 ± 60.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 117.42 ± 7 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 418.7 ± ± 32.9 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Magamit ang Spectra
1h nmr
13C NMR
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