![C36H39N5O8 guanosin, 5'-o-[bis (4-metoxifenyl) fenylmetyl] -2'-O-metyl-N- (2-metyl-1-oxopropyl)-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 guanosin, 5'-o-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-metyl-N- (2-metyl-1-oxopropyl)-(9CI, ACI) presenterade bild](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 guanosin, 5'-o-[bis (4-metoxifenyl) fenylmetyl] -2'-O-metyl-N- (2-metyl-1-oxopropyl)-(9ci, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 669.72 | - |
| Densitet (förutspådd) | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 9.16 ± 0,20 | Mest sura temp: 25 ° C |
Kanoniska leenden 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 (o (oc) c = c6) c (o) c3oc
Isomer leenden
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)C6=CC
= Cc = c6
Tum
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) 19-36 (22-9-9-8-8-8-8-8-2 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 -nyckel
Isqljogrnuqhjx-wifiacmtsa-n
1 annat namn för detta ämne
5'-O- [Bis (4-metoxifenyl) fenylmetyl] -2'-O-metyl-N- (2-metyl-1-oxopropyl) guanosin (ACI)
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| 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) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| 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 |
| Egendom | Värde | Skick | Källa |
| 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 |
| inloggning | 4,763 ± 0,722 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 3,1 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,4 x 10-4 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,7 x 10-4 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 7,4 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,9 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-4 g/l | Obuffrat vatten pH 6,99; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 4,6 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-6 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,5 x 10-7 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,7 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,6 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,6 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,6 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,6 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5.2 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-6 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 4,6 x 10-7 mol/l | Obuffrat vatten pH 6,99; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 669.72 | ||
| pka | 9.16 ± 0,20 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 1,73 ± 0,10 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 494,4 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 12 | (1) ACD | |
| H acceptorer | 13 | (1) ACD | |
| H givare | 3 | (1) ACD | |
| H givare/acceptor summa | 16 | (1) ACD | |
| inloggning | 4,763 ± 0,722 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 669.72 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 155 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
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