![C40H49N4O9P uridin, 5 ′ -o- [Bis (4-metoxifenyl) fenylmetyl] -2 ′ -O-metyl-, 3 ′-[2-cyanoetyl N, N-Bis (1-metyletyl) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P-uridin, 5 ′ -o- [Bis (4-metoxifenyl) fenylmetyl] -2 ′ -O-metyl-, 3 ′-[2-cyanoetyl N, N-Bis (1-metyletyl) fosforamidit] (ACI) presenterade bild](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine.png)
C40H49N4O9P uridin, 5 ′ -o- [Bis (4-metoxifenyl) fenylmetyl] -2 ′ -O-metyl-, 3 ′-[2-cyanoetyl N, N-Bis (1-metyletyl) fosforamidit] (ACI)
Cas registernummer
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Viktiga fysiska egenskaper | Värde | Skick | |
| Molekylvikt | 760.81 | - | |
| PKA (förutspådd) | 9.39 ± 0,10 | Mest sura temp: 25 ° C |
Kanoniska leenden
N#cccop (oc1c (oc (n2c = cc (= o) nc2 = o) c1oc) coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) n (c (c) c) c (c (c (o) c = c4) c5 = cc = c (oc) c = c5) n (c (c) c (c)
Isomer leenden
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC) C=C4)C5=CC=CC=C5
Tum
Tum = 1S/C40H49N4O9P/C1-27 (2) 44 (28 (3) 4) 54 (51-25-11-23-41) 53-36-34 (52-38 (37 (36) 49-7) 43-24-35 (45) 42-39 (43) 46-50-50-50-50-50-50 (29-14-14-1 2-9-8-10-13-29,30-14-18-32 (47-5) 19-15-30) 31-16-20-33 (48-6) 21-17-31/H8-10,12-22,24,27-28,34,36-38H, 11,25-26h2,1-7h3,
(H, 42,45,46)/T34-, 36-, 37-, 38-, 54?/M1/S1
Inchi -nyckel
Uvuojolpndcihl-xkzjcbtisa-n
1 annat namn för detta ämne
Uridin, 5 ′ -O-[Bis (4-metoxifenyl) fenylmetyl] -2 ′-O-metyl-, 3 ′-[2-cyanoetylbis (1-metyletyl) fosforamidit] (9ci)
Spektra tillgängligt
Massa
Egenskaper tillgängliga
Biologisk
Kemisk
Lipinski
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 254 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2050 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 15400 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 46000 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 57500 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 58900 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 58900 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 56800 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 42300 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 12200 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Skick | Källa |
| Koc | 389 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 3140 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 23600 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 70500 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 88100 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 90300 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 90200 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 87100 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 64800 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 18700 | pH 10; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| logd | 4.21 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.12 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 6.00 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 6.47 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.57 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.58 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 6.58 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.56 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.44 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 5.90 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 6.581 ± 0,646 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 8,4 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,019 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,4 x 10-3 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 | 1,1 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 8,4 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 8,4 x 10-5 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 8,4 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 8,4 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,1 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,0 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 8,4 x 10-5 g/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 1,1 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,5 x 10-5 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,1 x 10-6 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,1 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 1,5 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5.2 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-7 mol/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 760.81 | ||
| pka | 9.39 ± 0,10 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 3,45 ± 0,70 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 18 | (1) ACD | |
| H acceptorer | 13 | (1) ACD | |
| H givare | 1 | (1) ACD | |
| H givare/acceptor summa | 14 | (1) ACD | |
| inloggning | 6.581 ± 0,646 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 760.81 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Konditionskälla |
| 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
1 H NMR
13 C NMR
| Koda | Fiskuttalande | Källa |
| H335 | Kan orsaka andningsirritation | Expert kuraterad |
| H331 | Giftigt om det inhaleras | Expert kuraterad |
| H319 | Orsakar allvarlig ögonirritation | Expert kuraterad |
| H315 | Orsakar hudirritation | Expert kuraterad |
| Koda | Fiskuttalande | Källa |
| H311 | Giftigt i kontakt med huden | Expert kuraterad |
| H301+H311+H331 | Giftigt om det sväljs, i kontakt med hud eller inandad | Expert kuraterad |
| H301 | Giftigt om det sväljs | Expert kuraterad |
![118 RE36H44N2O8SI-uridin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl]-(9ci, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C33H35N3O8 cytidin, N-acetyl-5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-o-metyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C17H19N3O6 tymidin, a -oxo -a - [(fenylmetyl) amino] - (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C31H32N2O8-uridin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-metyl- (9C I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![C21H23N3O5 L-ornitin, N5- (Aminocarbonyl) -N2-[(9H-fluoren-9-ylmethoxy) karbonyl]-(9ci, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![C41H41N5O8 adenosin, N-bensoyl-5′-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2′- O- (2-metoxietyl)-(9ci, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)