![C36H39N5O8 Guanosine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O-metiel-N- (2-metiel-1-oksopropyl)-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O-metiel-N- (2-metiel-1-oksopropyl)-(9ci, ACI) het beeld](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O-metiel-N- (2-metiel-1-oksopropyl)-(9ci, ACI)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 669.72 | - |
| Digtheid (voorspel) | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (coc (c = 4c = cc = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = c = c6) c (o) c3oc
Isomeriese glimlagte
C (OC [c@h] 1o [c@h] ([c@h] (oc) [c @@ h] 1o) n2c3 = c (n = c2) c (= o) n = c (nc (c) c) = o) n3) (c4 = cc = c (oc) c = c (c4) (c5 = cc = c (oc) c = c (c6)
= Cc = c6
Duim
INCHI = 1S/C36H39N5O8/C1-21 (2) 32 (43) 39-35-38-31-28 (33 (44) 40-35) 37-20-41 (31) 34-30 (47-5) 29 (42) 27 (49-34) 19-48-36 (22-9-9-7-6-8-10-2-2) 2,23-11-15-25 (45-3) 16-12-23) 24-13-17-26 (46-4) 18-14-24/H6-18,20-21,27,29-30,34,42H, 19H2,1-5H3, (H2,38,39,40,43,44)/T27-, 29-, 30-, 34)
-/m1/s1
Inchi -sleutel
Isqljogrnuqhjx-Wifiacmtsa-N
1 Ander naam vir hierdie stof
5′-O- [bis (4-metoksifeniel) fenielmetiel] -2′-O-metiel-N- (2-metiel-1-oksopropyl) guanosien (ACI)
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 797 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2030 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2400 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2450 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2450 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2450 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2420 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2170 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1070 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 195 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| 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 |
| logd | 4.27 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 4.68 | Ph 2; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logd | 4.75 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 4.76 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 4.76 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 4.76 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 4.76 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 4.71 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 4.40 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 3.66 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 4.763 ± 0.722 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 3.1 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9.4 x 10-4 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,7 x 10-4 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3.1 x 10-4 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3.1 x 10-4 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3.1 x 10-4 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3.1 x 10-4 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3.1 x 10-4 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,5 x 10-4 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 7.4 x 10-4 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,9 x 10-3 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3.1 x 10-4 g/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 4.6 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-6 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5,5 x 10-7 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.7 x 10-7 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.6 x 10-7 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.6 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.6 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.6 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5.2 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,1 x 10-6 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5,8 x 10-6 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 4.6 x 10-7 mol/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 669.72 | ||
| pka | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 1,73 ± 0,10 | Die meeste basiese temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 494,4 ± 7,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 12 | (1) ACD | |
| H Acceptors | 13 | (1) ACD | |
| H -donateurs | 3 | (1) ACD | |
| H Skenker/Acceptor Sum | 16 | (1) ACD | |
| logp | 4.763 ± 0.722 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 669.72 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 155 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
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