C38H37N3O8 Wala pa gihatag
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 663.72 | - |
| Densidad (gitagna) | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 8.27 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile O = C1NC (= o) N (C = C1C (= OC = CCP) C = C6) C (OC) C.
Isomeric smile
C (OC [c @ h] 1o [c @ h] (c [c @@ h) = c (cc) c = c. cc = cc
Inchi
Inchi = 1s / C38H37N3O8 / C1-46-29-17-23-27 (14-18-29-8-12-3-12-3-28) 1-23-3-31 (36) 40-37 (41) 45) 35) 35 (43) 39-22-25-9-6-9-6-1,,240,,24,,44,44,45) / T32-
, 33 +, 34 + / M0 / S1
Yawe sa inchi
Nzbgrvlzisburbatur-lbfzijhmhgsa-n
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Mga kabtangan nga magamit |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 5250 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 5250 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 5260 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 5260 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 5250 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 5200 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 4720 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2460 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 466 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 96.9 | 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 | 16000 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 16000 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 16000 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 16000 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 16000 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 15800 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 14400 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 7510 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 1420 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 296 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 5.20 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 5.20 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 5.20 | Ph 3; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 5.20 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 5.20 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 5.19 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 5.15 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 4.87 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 4.15 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 3.46 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 5.198 ± 0.644 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 9.3 x 10-6 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.3 x 10-6 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.3 x 10-6 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.3 x 10-6 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.3 x 10-6 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.3 x 10-6 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.3 x 10-6 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.1 x 10-5 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.0 x 10-5 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.1 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.1 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.1 x 10-5 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.4 x 10-8 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-8 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.0 x 10-8 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-7 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.7 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-8 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gibug-aton sa molekula | 663.72 | ||
| pka | 8.27 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -1.66 ± 0.20 | Kadaghanan sa sukaranan nga temps: 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 | 1.304 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 508.6 ± €,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 | 13 | (1) ACD | |
| H Pagdawat | 11 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor / Pagdawat Sum | 14 | (1) ACD | |
| logP | 5.198 ± 0.644 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 663.72 |
(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 | 136 A2 | (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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