![C39H37N5O7 Adenosine, N-Benzoyl-5'-O-- [BIS (4-methoxyphyphyl) Phenylmethyl] -2'- o-methyl- (9ci, Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-Benzoyl-5'-Bis (4-methoxyphylentl) Phenylmethyl] -2'- o-methi) nga gipakita nga imahe](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosine, N-Benzoyl-5'-O-- [BIS (4-methoxyphyphyl) Phenylmethyl] -2'- o-methyl- (9ci, Aci)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 687.74 | - |
| Densidad (gitagna) | 1.32 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 7.87 ± 0.43 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Spyes O = C (NC1 = NC = NC2 = C1N = CC = C. CCUP) C = CC) C
Isomeric smile
C (OC [c @ h] 1o [c @ h] ([c @ H] [c @@ cc = c. c (cc) c = c6) C7 = CC = CC = C7
Inchi
Inchi = 1s / C39H37N5o7 / C1-47-29-14-27 (15-19-29-5-9-28-3-28-3-28-3-28-33-31-33-31-33 (49-3) 38 ( 31) 44-24-32-32-35 (40-23-41-36-36-36-36-36- 44) 44) 43)
34-, 38- / M1 / S1
Yawe sa inchi
Sarhdaqoznkzc-cjegosrcsa-n
1 Uban pang ngalan alang sa kini nga sangkap
N-Benzoyl-5'-O- [BIS (4-methoxypylenyl) Phenylmethyl] -2'-metyladenosine (Aci)
Magamit ang Spectra
1h nmr
13C NMR
Misa
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Density
Lipinski
May kalabutan sa istruktura
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 47800 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.63 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.16 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.23 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.23 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.18 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.79 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 64900 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 10600 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 3110 | 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 | 50200 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 1.71 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 2.26 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 2.34 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 2.34 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 2.29 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 1.88 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 68000 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 11200 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 3260 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 6.67 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 7.21 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 7.33 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 7.34 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 7.34 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 7.33 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 7.25 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 6.80 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 6.02 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 5.49 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 7.344 ± 0.723 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 2.7 x 10-6 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.2 x 10-5 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.7 x 10-6 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.4 x 10-6 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.6 x 10-6 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.7 x 10-5 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.9 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.4 x 10-6 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 3.9 x 10-9 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-8 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 5.4 x 10-9 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.1 x 10-9 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.0 x 10-9 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.0 x 10-9 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 4.0 x 10-9 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.9 x 10-9 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 8.3 x 10-8 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.8 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.9 x 10-9 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 687.74 | ||
| pka | 7.87 ± 0.43 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 1.39 ± 0.10 | 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 | 1.32 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 518.5 ± 7.0 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 | 12 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Pagdawat Sum | 14 | (1) ACD | |
| logP | 7.344 ± 0.723 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 687.74 |
(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 | 139 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
Magamit ang Spectra
13C NMR
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