C41H51N5O8SI Guanosina, 5'-O- [Bis (4-metoxyphenyl) fenilmetiloa] -2'-o - [(1,1- dimethylethyl) dimetilsilyl] -n- (2-metil-1-oxopropil) - (9ci, aci)
Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
Pisu molekularra | 769,96 | - |
Dentsitatea (aurreikusitakoa) | 1,25 ± 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) c = c5) c6 = cc = c (o) c3o [si] (c) (c) (c) (c) c)
Irribarre isomerikoak
C (oc [c @ h] 1o [c @ h] ([c @ h] (o [si] (c) (c) c) (c) c) [c) c) [c) c) [c) c) [c) c) [c) c)) n2c3 = c (n = c2) c ( = O) n = c (nc (c (c) = o) n3) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c41h51n5oSI / C1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39 ) 42-24-46 (35) 38-34 (54-55 (8,9) 40 (3,4) 5) 33 (47) 31 (53-38) 23-52-41 (2 6-13-10-10-12-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28 / h10-22,24-25,31,33,24,38,3,1-9h3, (H2,43,44,45,
48,49) / T31-, 33-, 34-, 38- / m1 / s1
Inchi gakoa
Jmcnkjfoijgyrg-cjegosrcsa-n
1 Substantzia honetarako beste izen bat
5'-O- [bis (4-metoxyphenyl) fenilmetilia] -2'-o - [(1,1-dimethyletil) dimetilsilyl] -n- (2-metil-1-oxopropil) guanosina (aci)
Espektroak eskuragarri
1h nmr
13C NMR
Mordo
Ezaugarriak eskuragarri |
Biologiko |
Gai kimiko |
Dentsitate |
Lipinski |
Egitura erlazionatua |
Biologiko
Jabetasun | Balio | Baldintza | Iturri |
Bioconcentration faktorea | 1,38 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 3,53 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 4.18 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 4.26 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 4.26 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 4.26 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 4.21 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 3,77 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1,86 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 33800 | 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 | 1.21 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 3.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3,65 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 3,72 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 3,73 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 3,72 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 3,68 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Koc | 3.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1,62 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 29600 | pH 10; Temp: 25 ° C | (1) ACD |
sintika | 7,22 | pH 1; Temp: 25 ° C | (1) ACD |
sintika | 7,63 | PH 2; Temp: 25 ° C | (1) ACD |
sintika | 7,70 | pH 3; Temp: 25 ° C | (1) ACD |
sintika | 7,91 | PH 4; Temp: 25 ° C | (1) ACD |
sintika | 7,91 | PH 5; Temp: 25 ° C | (1) ACD |
sintika | 7,91 | PH 6; Temp: 25 ° C | (1) ACD |
sintika | 7,70 | PH 7; Temp: 25 ° C | (1) ACD |
sintika | 7,66 | PH 8; Temp: 25 ° C | (1) ACD |
sintika | 7,35 | PH 9; Temp: 25 ° C | (1) ACD |
sintika | 6.61 | pH 10; Temp: 25 ° C | (1) ACD |
logpp | 7.710 ± 0,709 | Temp: 25 ° C | (1) ACD |
Intrinsic disolbagarritasuna | 2,7 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 8,5 x 10-5 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.3 x 10-5 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,8 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,7 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,7 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,8 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.1 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 6,2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3,5 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,8 x 10-5 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Molar berezko disolbagarritasuna | 3,5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1.1 x 10-7 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4.3 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,6 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,5 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Disolbagarritasun molarra | 3,5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,6 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 8,1 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4,5 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,6 x 10-8 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Pisu molekularra | 769,96 | ||
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 | 1,25 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
Bolumen molarra | 615,5 ± 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 | 14 | (1) ACD | |
H Onartzaileak | 13 | (1) ACD | |
H Emaileak | 3 | (1) ACD | |
H emaile / onartzaileen batura | 16 | (1) ACD | |
logpp | 7.710 ± 0,709 | Temp: 25 ° C | (1) ACD |
Pisu molekularra | 769,96 |
(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