C41H51N5O8SI Guanosine, 5'-BIS (4-methoxyphyphyl) Phenylmethyl] -2'-((1-methylopyl) - (9CI, Aci)
KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
Gibug-aton sa molekula | 769.96 | - |
Densidad (gitagna) | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (gitagna) | 9.16 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
Kanonical nga pahiyom o = c1n = c (nc (= o) c (c) c (cc) c
Isomeric smile
C (OC [c @ h] 1o [c @ H] ([c @ [SAL] (C) (c) 1o) N2C3 = C (N2C3) C ( = O) n = c (nc (c (c) c) = o) n3) (cc) c = c6) c6) c6) c6) c6) c6
Inchi
Inchi = 1S / C41H51NIO8SI / C1-25 (28) 36 (48-32) 42-32) 33) 5 (43-48) 23-52-41 (2-52-48) 23-52-41 (2-52-41) 23-52-41 (2 6-13-11-10-1-11-11-14-14-14-26,27-15-19-29 (50-6) 20-16-27- 28-17-21-30 (51-7,38,38,38,37,,47,,44,44,44,44,44,44,44,44,44,44,44,44,44,44,44,44,
48,49) / T31-, 33-, 34-, 38- / M1 / S1
Yawe sa inchi
JMCNKNJGEIJGEIJGEHISG-CJEGOSRCSA-N
1 Uban pang ngalan alang sa kini nga sangkap
5'-O- Bis (4-methoxypylyl) Phenylmethyl] -2'-o [(1,1-(2-methylopyl) guanosine (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 | 1.38 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 3.53 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 4.18 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 4.26 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 4.26 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 4.26 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 4.21 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 3.77 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1.86 x 105 | Ph 9; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 33800 | 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 | 1.21 x 105 | Ph 1; Tats: 25 ° C | (1) ACD |
Lang | 3.08 x 105 | Ph 2; Tats: 25 ° C | (1) ACD |
Lang | 3.65 x 105 | Ph 3; Tats: 25 ° C | (1) ACD |
Lang | 3.72 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
Lang | 3.73 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
Lang | 3.72 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
Lang | 3.68 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Lang | 3.30 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
Lang | 1.62 x 105 | Ph 9; Tats: 25 ° C | (1) ACD |
Lang | 29600 | Ph 10; Tats: 25 ° C | (1) ACD |
troso | 7.22 | Ph 1; Tats: 25 ° C | (1) ACD |
troso | 7.63 | Ph 2; Tats: 25 ° C | (1) ACD |
troso | 7.70 | Ph 3; Tats: 25 ° C | (1) ACD |
troso | 7.71 | Ph 4; Tats: 25 ° C | (1) ACD |
troso | 7.71 | Ph 5; Tats: 25 ° C | (1) ACD |
troso | 7.71 | Ph 6; Tats: 25 ° C | (1) ACD |
troso | 7.70 | Ph 7; Tats: 25 ° C | (1) ACD |
troso | 7.66 | Ph 8; Tats: 25 ° C | (1) ACD |
troso | 7.35 | Ph 9; Tats: 25 ° C | (1) ACD |
troso | 6.61 | Ph 10; Tats: 25 ° C | (1) ACD |
logP | 7.710 ± 0.709 | Tats: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 2.7 x 10-5 g / l | Tats: 25 ° C | (1) ACD |
Mass Solubility | 8.5 x 10-5 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.3 x 10-5 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
Mass Solubility | 2.8 x 10-5 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
Mass Solubility | 2.7 x 10-5 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
Mass Solubility | 2.7 x 10-5 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
Mass Solubility | 2.7 x 10-5 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
Mass Solubility | 2.8 x 10-5 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-5 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
Mass Solubility | 6.2 x 10-5 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
Mass Solubility | 2.8 x 10-5 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Molar intrinsic solubility | 3.5 x 10-8 MOL / L | Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-7 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.3 x 10-8 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.5 x 10-8 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.5 x 10-8 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Molar Solubility | 3.5 x 10-8 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.0 x 10-8 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
Molar Solubility | 8.1 x 10-8 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
Molar Solubility | 4.5 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 769.96 | ||
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 | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar nga gidaghanon | 615.5 ± 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 | 14 | (1) ACD | |
H Pagdawat | 13 | (1) ACD | |
H donor | 3 | (1) ACD | |
H Donor / Pagdawat Sum | 16 | (1) ACD | |
logP | 7.710 ± 0.709 | Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 769.96 |
(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