C36H39N5O8 Guanosine, 5'-BIS (4-methoxypylenyl) Phenylmethyl] -2'-methyl-n- (2-oxylopyl) - (9CI, Aci)
KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
Gibug-aton sa molekula | 669.72 | - |
Densidad (gitagna) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (gitagna) | 9.16 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Spyes O = C1N = C (NC (= o) c (c) c) C6) c (o o o cc) c
Isomeric smile
C (OC [c @ h] 1o [c @ h] ([c @ h) (cc) c = c (C.
= Cc = c6
Inchi
Inchi = 1S / C36H39NO8 / C1-21 (2) 32 (43) 33) (49) 2 2,23-11-15-25 (45-3) 16-12-23) 24-13-17-26
- / M1 / S1
Yawe sa inchi
Isqlogrnnuqhjx-wifiacmtsa-n
1 Uban pang ngalan alang sa kini nga sangkap
5'-O- Bis (4-methoxypylyl) Phenylmethyl] -2'-methyyl-n- (2-(2-(2-staropropyl) guanosine (Aci)
Mga kabtangan nga magamit |
Biyikolohiya |
Kimikal |
Density |
Lipinski |
May kalabutan sa istruktura |
Biyikolohiya
Kabtangan | Bili | Kahimtang | Tinubdan |
Factor sa Bioconcentration | 797 | Ph 1; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2030 | Ph 2; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2400 | Ph 3; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2450 | Ph 4; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2450 | Ph 5; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2450 | Ph 6; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2420 | Ph 7; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 2170 | Ph 8; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1070 | Ph 9; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 195 | 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 | 3020 | Ph 1; Tats: 25 ° C | (1) ACD |
Lang | 7680 | Ph 2; Tats: 25 ° C | (1) ACD |
Lang | 9100 | Ph 3; Tats: 25 ° C | (1) ACD |
Lang | 9270 | Ph 4; Tats: 25 ° C | (1) ACD |
Lang | 9290 | Ph 5; Tats: 25 ° C | (1) ACD |
Lang | 9280 | Ph 6; Tats: 25 ° C | (1) ACD |
Lang | 9170 | Ph 7; Tats: 25 ° C | (1) ACD |
Lang | 8220 | Ph 8; Tats: 25 ° C | (1) ACD |
Lang | 4050 | Ph 9; Tats: 25 ° C | (1) ACD |
Lang | 737 | Ph 10; Tats: 25 ° C | (1) ACD |
troso | 4.27 | Ph 1; Tats: 25 ° C | (1) ACD |
troso | 4.68 | Ph 2; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
troso | 4.75 | Ph 3; Tats: 25 ° C | (1) ACD |
troso | 4.76 | Ph 4; Tats: 25 ° C | (1) ACD |
troso | 4.76 | Ph 5; Tats: 25 ° C | (1) ACD |
troso | 4.76 | Ph 6; Tats: 25 ° C | (1) ACD |
troso | 4.76 | Ph 7; Tats: 25 ° C | (1) ACD |
troso | 4.71 | Ph 8; Tats: 25 ° C | (1) ACD |
troso | 4.40 | Ph 9; Tats: 25 ° C | (1) ACD |
troso | 3.66 | Ph 10; Tats: 25 ° C | (1) ACD |
logP | 4.763 ± 0.722 | Tats: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.1 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
Mass Solubility | 9.4 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 | 3.1 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
Mass Solubility | 7.4 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.9 x 10-3 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g / l | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
Molar intrinsic solubility | 4.6 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-6 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.5 x 10-7 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.7 x 10-7 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.6 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.6 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.6 x 10-7 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.6 x 10-7 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.2 x 10-7 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-6 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Molar Solubility | 4.6 x 10-7 MOL / L | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 669.72 | ||
pka | 9.16 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
pka | 1.73 ± 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 | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar nga gidaghanon | 494.4 ± 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 | 13 | (1) ACD | |
H donor | 3 | (1) ACD | |
H Donor / Pagdawat Sum | 16 | (1) ACD | |
logP | 4.763 ± 0.722 | Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 669.72 |
(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 | 155 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