![C41H51N5O8SI guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl)-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8SI guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1- dimethylethyl) dimethylsilyl] -n- (2-methyl-1-oxopropyl)-(9CI, ACI) indeholdt billede](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8SI guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl)-(9CI, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 769,96 | - |
| Densitet (forudsagt) | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr |
| PKA (forudsagt) | 9,16 ± 0,20 | Mest sure temp: 25 ° C |
Kanoniske smil 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 = C6) C (O) C3O [SI] (C) (C (C (C) (C) C
Isomere smil
C (OC [C@H] 1O [C@H] ([C@H] (O [SI] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C3 = C (N = C2) C ( = O) N = C (NC (C (C) C) = O) N3) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C41H51N5O8SI/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 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28/H10-22,24-25,31,33-34,38,47h, 23H2,1-9H3, (H2,43,4445 ,45,
48,49)/T31-, 33-, 34-, 38-/m1/s1
Inchi Key
Jmcnkjfoijgyrg-cjegosrcsa-n
1 andet navn til dette stof
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl) guanosin (ACI)
Spektre tilgængelige
1H NMR
13c NMR
Masse
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 1,38 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 3,53 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 4.18 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 4.26 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 4.26 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 4.26 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 4,21 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 3,77 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1,86 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 33800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| logd | 7.22 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.63 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.70 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.70 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 7.66 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.35 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.61 | pH 10; Temp: 25 ° C. | (1) ACD |
| Logp | 7,710 ± 0,709 | Temp: 25 ° C. | (1) ACD |
| Masse iboende opløselighed | 2,7 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 8,5 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,3 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,8 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,7 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,7 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,7 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,8 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,1 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 6,2 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,8 x 10-5 g/l | Ubuffet vand pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 3,5 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,1 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,3 x 10-8 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,6 x 10-8 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,5 x 10-8 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,5 x 10-8 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 3,5 x 10-8 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,6 x 10-8 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,0 x 10-8 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,1 x 10-8 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,5 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,6 x 10-8 mol/l | Ubuffet vand pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 769,96 | ||
| PKA | 9,16 ± 0,20 | Mest sure temp: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | Mest basale temp: 25 ° C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Ejendom | Værdi | Tilstand | Kilde |
| Densitet | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 615,5 ± 7,0 cm3/mol | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 14 | (1) ACD | |
| H acceptorer | 13 | (1) ACD | |
| H donorer | 3 | (1) ACD | |
| H donor/acceptor sum | 16 | (1) ACD | |
| Logp | 7,710 ± 0,709 | Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 769,96 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polært overfladeareal | 155 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektre tilgængelige
1H NMR
13c NMR
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