![C36H39N5O8 guanosin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyl-N- (2-methyl-1-oxopropyl)-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl-n- (2-methyl-1-oxopropyl)-(9CI, ACI) indeholdt billede](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 guanosin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyl-N- (2-methyl-1-oxopropyl)-(9CI, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 669,72 | - |
| Densitet (forudsagt) | 1,35 ± 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) C3OC
Isomere smil
C (OC [C@H] 1O [C@H] ([C@H] (OC) [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) (C4 = 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 (47-5) 29 (42) 27 (49-34) 19-48-36 (22-9-7-6-8-10-2 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 Key
IsqljogrnuqHjx-wifiacmtsa-n
1 andet navn til dette stof
5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyl-N- (2-methyl-1-oxopropyl) guanosin (ACI)
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 797 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2030 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2400 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2450 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2450 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2450 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2420 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2170 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1070 | pH 9; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 195 | 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 | 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 |
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Masse iboende opløselighed | 3,1 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 9,4 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,7 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,1 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,1 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,1 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,1 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,1 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 7,4 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,1 x 10-4 g/l | Ubuffet vand pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 4,6 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,4 x 10-6 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,5 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,7 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,6 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,6 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,6 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,2 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,1 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 4,6 x 10-7 mol/l | Ubuffet vand pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 669,72 | ||
| 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 | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 494,4 ± 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 | 12 | (1) ACD | |
| H acceptorer | 13 | (1) ACD | |
| H donorer | 3 | (1) ACD | |
| H donor/acceptor sum | 16 | (1) ACD | |
| Logp | 4,763 ± 0,722 | Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 669,72 |
(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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