C31H32N2O8 URIDINE, 5'-BIS (4-methoxypylenyl) Phenylmethyl] -2' o-methyl- (9c i, Aci)
KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
Gibug-aton sa molekula | 560.60 | - |
Densidad (gitagna) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (gitagna) | 9.39 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smiles O = C1C = CN (C (= o) N1) C2OC (C. CCUP) C = C. OC) C (OC) C = C
Isomeric smile c (oc [c @ h] 1o [c @ h) (cc) c = c. cc = cc = cc = cc = cc = cc = cc = cc = cc = cc) c5
Inchi
Inchi = 1s / C31H32O8 / C1-37-23-13-13-9-23) 31 (38-2-6-22-14 (38-22-27) (35-3) 29 (49-3) 29 (49-3) 29 (49-3) 29 (49-3) 29 (49-3) 29 (49-3) 29 (49-3) 2 35)
33-17-16-16-16
Yawe sa inchi
Mfdhavfjdsrpkc-yxinzvnssa-n
2 ubang mga ngalan alang sa kini nga sangkap
5'-O- BIS (4-methoxyphyphyl) Phenylmethyl] -2'-methyluridine (Aci); 5'-o- (4,4'-dimethoxytrityl) -2'-methyluridine
Magamit ang Spectra
1h nmr
Misa
Mga kabtangan nga magamit |
Biyikolohiya |
Kimikal |
Density |
Lipinski |
May kalabutan sa istruktura |
Biyikolohiya
Kabtangan | Bili | Kahimtang | Tinubdan |
Factor sa Bioconcentration | 1240 | Ph 1; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1240 | Ph 2; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1240 | Ph 3; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1240 | Ph 4; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1240 | Ph 5; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1240 | Ph 6; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1230 | Ph 7; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1190 | Ph 8; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 861 | Ph 9; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 238 | 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 | 5690 | Ph 1; Tats: 25 ° C | (1) ACD |
Lang | 5690 | Ph 2; Tats: 25 ° C | (1) ACD |
Lang | 5690 | Ph 3; Tats: 25 ° C | (1) ACD |
Lang | 5690 | Ph 4; Tats: 25 ° C | (1) ACD |
Lang | 5690 | Ph 5; Tats: 25 ° C | (1) ACD |
Lang | 5690 | Ph 6; Tats: 25 ° C | (1) ACD |
Lang | 5670 | Ph 7; Tats: 25 ° C | (1) ACD |
Lang | 5450 | Ph 8; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Lang | 3960 | Ph 9; Tats: 25 ° C | (1) ACD |
Lang | 1100 | Ph 10; Tats: 25 ° C | (1) ACD |
troso | 4.37 | Ph 1; Tats: 25 ° C | (1) ACD |
troso | 4.37 | Ph 2; Tats: 25 ° C | (1) ACD |
troso | 4.37 | Ph 3; Tats: 25 ° C | (1) ACD |
troso | 4.37 | Ph 4; Tats: 25 ° C | (1) ACD |
troso | 4.37 | Ph 5; Tats: 25 ° C | (1) ACD |
troso | 4.37 | Ph 6; Tats: 25 ° C | (1) ACD |
troso | 4.37 | Ph 7; Tats: 25 ° C | (1) ACD |
troso | 4.35 | Ph 8; Tats: 25 ° C | (1) ACD |
troso | 4.21 | Ph 9; Tats: 25 ° C | (1) ACD |
troso | 3.66 | Ph 10; Tats: 25 ° C | (1) ACD |
logP | 4.372 ± 0.582 | Tats: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.7 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.8 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
Mass Solubility | 5.3 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.9 x 10-3 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g / l | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
Molar intrinsic solubility | 6.6 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Molar Solubility | 6.6 x 10-7 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.8 x 10-7 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
Molar Solubility | 9.4 x 10-7 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.4 x 10-6 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 MOL / L | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 560.60 | ||
pka | 9.39 ± 0.10 | Kadaghanan sa acidic 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 | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar nga gidaghanon | 412.9 ± 5.0 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 | 11 | (1) ACD | |
H Pagdawat | 10 | (1) ACD | |
H donor | 2 | (1) ACD | |
H Donor / Pagdawat Sum | 12 | (1) ACD | |
logP | 4.372 ± 0.582 | Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 560.60 |
(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 | 116 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