![C38H49NO7 1- Pyrrolidoincanoic acid, 2- [[BIS (4-methoxylyl) Phenylm Ethoxy] Methyl-λ-Oxo-, (4R)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidoincanoic acid, 2- [[BIS (4-methoxylyl) Phenylm Ethoxy-λ-Oxo-, (ACI)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 631.80 | - |
| Boiling Point (Gitagna) | 779.4 ± 60.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.154 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 4.78 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C |
Canonical SMILES O=C(O)CCCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4
Isomeric SMILES C(OC[C@H]1N(C(CCCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4
Inchi
Inchi = 1s / C38H49NO7 / C1-44-34-22-18-30 (19-23-10-29-3-11-3-29-35) 46-32-32-32 36 (41) 16-12-7-5-5-6-6-8-17-33-37
Yawe sa inchi
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1 Uban pang ngalan alang sa kini nga sangkap
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| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
| Sa teserminal |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 2.46 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.46 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.42 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.11 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 92400 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 14000 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1510 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 192 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 58.6 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 45.3 | 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 | 2.52 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 2.51 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 2.47 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 2.16 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 94500 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 14300 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 1550 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 196 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 59.9 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 46.3 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 7.40 | Ph 1; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 7.40 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 7.39 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 7.33 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 6.97 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 6.15 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 5.19 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 4.29 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 3.77 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 3.66 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 7.397 ± 0.598 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.3 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-4 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-4 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.5 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.5 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.3 x 10-3 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.021 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.17 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.55 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.69 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-3 g / l | Wala'y pulos nga tubig Ph 5.73; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 2.1 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.1 x 10-7 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.1 x 10-7 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.1 x 10-7 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 5.5 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.6 x 10-6 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.4 x 10-5 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.7 x 10-4 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 8.7 x 10-4 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 1.1 x 10-3 Mol / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.1 x 10-6 MOL / L | Wala'y pulos nga tubig Ph 5.73; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 631.80 | ||
| pka | 4.78 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -2.31 ± 0.60 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
| Purni sa Vapor | 1.42 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 | 1.154 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 547.3 ± 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 | 20 | (1) ACD | |
| H Pagdawat | 8 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Pagdawat Sum | 10 | (1) ACD | |
| logP | 7.397 ± 0.598 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 631.80 |
(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 | 106 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 | 779.4 ± 60.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 118.97 ± 7 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 425.2 ± ± 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
![118 Re36H44N2o8si UriDine, 5'-BIS (4-methoxyphyphyl) Phenylmethyl] -2'-offyletyl) Dimethylslyl] - (9ci, Aci)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)