C36H39N5O8 Guanosina, 5'-O- [BIS (4-metoxyphenyl) fenilmetilia] -2'-o-metil- n- (2-methyl-1-oxopropil) - (9ci, aci)
Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
Pisu molekularra | 669,72 | - |
Dentsitatea (aurreikusitakoa) | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
pka (aurreikusita) | 9.16 ± 0,20 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak o = c1n = c (c) c) nc2 = c1n = cn2c3oc (coc (c = cc = cc = cc4) (c5 = cc = cc) c = c5) c6 = cc = c (oc) c (o) c3oc
Irribarre isomerikoak
C (oc [c @ h] 1o [[c @ h] (c @ h] [c) [c @ h] 1o) n = = n] n = c (n = c2) c (c (c (c (cc = c (cc = c (cc) c6 = cc
= CC = C6
Inchi
Inchi = 1s / c36h39n5o8 / C1-21 (2) 32 (43) 39-35-38-31-28 (33 (44) 40-35) 37-20-41 (31) 34-30) 29 (42-5) 29 (42-34) 19-48-36 (22-9-7-6-6-6-6-22-6-6-6-6-6-6-6-22-6-6-22-22-2) 2,23-11-15-25 (45-3) 16-12-23) 24-12-26-26 (46-4) 18-14-24 / 18-18,20-21,27,29: 19h2,1-5h3, (H2,38,39,40,43,44) / T27-, 29-, 30-, 30-, 30-, 34
- / m1 / s1
Inchi gakoa
Isqljogrnuqhjx-wifiacmtsa-n
1 Substantzia honetarako beste izen bat
5'-o- [bis (4-metoxyphenyl) fenilmetilia] -2'-o-metil-n- (2-metil-1-oxopropil) guanosina (aci)
Ezaugarriak eskuragarri |
Biologiko |
Gai kimiko |
Dentsitate |
Lipinski |
Egitura erlazionatua |
Biologiko
Jabetasun | Balio | Baldintza | Iturri |
Bioconcentration faktorea | 797 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2030 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2400 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2450 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2450 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2450 | PH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2420 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 2170 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1070 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 195 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Gai kimiko
Jabetasun | Balio | Baldintza | Iturri |
Koc | 3020 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 7680 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 9100 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 9270 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 9290 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 9280 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 9170 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 8220 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 4050 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 737 | pH 10; Temp: 25 ° C | (1) ACD |
sintika | 4,27 | pH 1; Temp: 25 ° C | (1) ACD |
sintika | 4,68 | PH 2; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
sintika | 4,95 | pH 3; Temp: 25 ° C | (1) ACD |
sintika | 4,96 | PH 4; Temp: 25 ° C | (1) ACD |
sintika | 4,96 | PH 5; Temp: 25 ° C | (1) ACD |
sintika | 4,96 | PH 6; Temp: 25 ° C | (1) ACD |
sintika | 4,96 | PH 7; Temp: 25 ° C | (1) ACD |
sintika | 4,91 | PH 8; Temp: 25 ° C | (1) ACD |
sintika | 4.40 | PH 9; Temp: 25 ° C | (1) ACD |
sintika | 366 | pH 10; Temp: 25 ° C | (1) ACD |
logpp | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Intrinsic disolbagarritasuna | 3.1 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 9,4 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3,7 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3,5 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 7,4 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3,9 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-4 g / l | URA EZ DUTEN PH 6,99; Temp: 25 ° C | (1) ACD |
Molar berezko disolbagarritasuna | 4,6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1.4 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,5 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,7 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,6 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,6 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,6 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,6 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,2 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 5,8 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Disolbagarritasun molarra | 4,6 x 10-7 mol / l | URA EZ DUTEN PH 6,99; Temp: 25 ° C | (1) ACD |
Pisu molekularra | 669,72 | ||
pka | 9.16 ± 0,20 | Gai azido gehienak: 25 ° C | (1) ACD |
pka | 1,73 ± 0,10 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Dentsitate
Jabetasun | Balio | Baldintza | Iturri |
Dentsitate | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
Bolumen molarra | 494,4 ± 7,0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Lipinski
Jabetasun | Balio | Baldintza | Iturri |
Lotura libreki birakariak | 12 | (1) ACD | |
H Onartzaileak | 13 | (1) ACD | |
H Emaileak | 3 | (1) ACD | |
H emaile / onartzaileen batura | 16 | (1) ACD | |
logpp | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Pisu molekularra | 669,72 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Egitura erlazionatua
Jabetasun | Balio | Baldintza | Iturri |
Azalera polarra | 155 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1h nmr
13C NMR