![C39H46FN4O8P URIDININE, 5 '-O- [4-methoxypyletyl) Phenylmethyl] -2 -DOOXY-2' - [2-BISTEOTHYL NI PHISPHOLEDYLE] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C39H46FN4O8P URIDININE, 5 '-O- [4-methoxypyletyl) Phenylmethyl] -2 -DOOXY-2' - [2-BISTEOTHYL NI PHISPHOLEDYLE] (ACI)
Numero sa Registry sa Cas
146954-75-8
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 748.78 | - |
| PKA (gitagna) | 9.39 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
N # cccop (OC1C (F) C (OC1COC (C = 2C = CC) C = C (C) C) C (C) C) C (C) C) C
Isomeric smile
C (OC [c @@ h] 1 [c @@ h] (op (n (c) (c) (cc) c = c. c (cc) c = C4) C5 = CC = CC = C5
Inchi
Inchi = 1s / C39H46FN4O8P / C1-26 (2) 44 (32-36-33) (36-38) 46) 46) (43) -8-7-9-12-28,29-13-17-31 (47-5) 18-14-29) 30-15-19-32-30,35-6,31-23,33-6-6-6-6-620, (H, 42,46,46,46,46,46,46,46,46,46,46,46) / T3 3-, 35-, 36-, 37-, 53? / M1 / S1
Yawe sa inchi
Hqhqpayrjmyqx-djtpzymwsa-n
1 Uban pang ngalan alang sa kini nga sangkap
Uridine, 5 '-O- [BIS (4-methoxyphyphyl) Phenylmethyl] -2 -DOOXY-2 '-Fluoro-, 3-cyanoethyl bis (9-cyanthethyl) Phostholamidite]
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Lipinski
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 457 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 3690 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 27700 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 82900 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.04 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.06 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.06 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.02 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 76200 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 22000 | 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
| Tinubdan sa Kondisyon sa Kondisyon sa Property |
| 592 Ph 1; Tats: 25 ° C (1) ACD |
| Koc 4790 Ph 2; Tats: 25 ° C (1) ACD |
| Kik 3000 PH 3; Tats: 25 ° C (1) ACD |
| KOC 1.07 x 105 Ph 4; Tats: 25 ° C (1) ACD |
| KOC 1.34 X 105 PH 5; Tats: 25 ° C (1) ACD |
| 1.38 x 105 Ph 6; Tats: 25 ° C (1) ACD |
| KOC 1.37 X 105 PH 7; Tats: 25 ° C (1) ACD |
| KOC 1.33 X 105 PH 8; Tats: 25 ° C (1) ACD |
| 98800 PH 9; Tats: 25 ° C (1) ACD |
| KOC 28600 PH 10; Tats: 25 ° C (1) ACD |
| LOGD 4.55 PH 1; Tats: 25 ° C (1) ACD |
| LOGD 5.46 PH 2; Tats: 25 ° C (1) ACD |
| LOGD 6.33 PH 3; Tats: 25 ° C (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 6.81 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 6.91 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 6.92 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 6.92 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 6.90 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 6.77 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 6.23 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 6.918 ± 0.641 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 2.2 x 10-5 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.1 x 10-3 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 6.3 x 10-4 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 8.2 x 10-5 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-5 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.2 x 10-5 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.2 x 10-5 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.2 x 10-5 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.2 x 10-5 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.0 x 10-5 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.0 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.2 x 10-5 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 2.9 x 10-8 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.8 x 10-6 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 8.4 x 10-7 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-8 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.0 x 10-8 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 x 10-8 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 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 | 4.0 x 10-8 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 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 | 748.78 | ||
| pka | 9.39 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 3.45 ± 0.70 | 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
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 17 | (1) ACD | |
| H Pagdawat | 12 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 13 | (1) ACD | |
| logP | 6.918 ± 0.641 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 748.78 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Gigikanan sa kondisyon |
| Dapit sa Polar sa Polar | 145 A2 | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
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