![C43H55N4O10p uridin, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methox yethyl)-5-methyl-, 3 '-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine.png)
C43H55N4O10p uridin, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methox yethyl)-5-methyl-, 3 '-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidit] (ACI)
CAS -registreringsnummer
163878-63-5
H302
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 818.89 | - |
| PKA (forudsagt) | 9,55 ± 0,10 | Mest sure temp: 25 ° C |
Kanoniske smil
N#CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C (C) C.
Isomere smil
C (OC [C @@ H] 1 [C @@ H] (op (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OCCOC) [C @@ H] (O1) N2C (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/C43H55N4O10P/C1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 53-26-25-50-6) 46-27-31 (5) 40 (48) 45-42 (46) 49) 49) 2 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34/H9-11,13-22,27,29-30,37-39,41H, 12,24-26,28h2, 1-8H3, (H, 45,48,49)/T37-, 38-, 39-, 41-, 58?/M1/S1
Inchi Key
YfrrkzdudxHjnc-kzqaakllsa-n
17 andre navne på dette stof
Uridin, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosfor
Amidite] (9ci); 10: PN: US20030212017 Side: 18 hævdede RNA; 11: PN: US20030211606 Side: 18 hævdede RNA; 13: PN: US20040
005569 Side: 21 hævdede RNA; 13: PN: US20040006030 Side: 22 hævdede RNA; 13: PN: US20040014048 Side: 19 hævdede RNA; 13: PN: US20040014049 Side: 19 hævdede RNA; 14: PN: US20030198965 Side: 19 hævdede RNA; 14: PN: US20040005565 Side: 17-22 hævdede RNA; 14: PN: US20040005570 Side: 19 hævdede RNA; 14: PN: US20040014047 Side: 19 hævdede RNA; 14: PN: US20040
014699 Side: 19 hævdede RNA; 15: PN: US20040014050 Side: 19 hævdede RNA; 15: PN: US20040014051 Side: 21 hævdede RNA; 15:
PN: WO03106645 Side: 69 hævdede RNA; 16: PN: US20040006029 Side: 22 hævdede RNA; 87: PN: US20040005707 Side: 19 hævdede RNA
Spektre tilgængelige
1 H nmr
13 c nmr
Hetero NMR
Tilgængelige egenskaber
Biologisk
Kemisk
Lipinski
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 348 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 2810 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 21100 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 63100 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 78800 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 80800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 80800 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 78800 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 63400 | pH 9; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 21800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 487 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 3940 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 29600 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 88400 | pH 4; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 1,10 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 1,13 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1,13 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 1,10 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 88800 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 30600 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.39 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 5.30 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 6.18 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 6.65 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6,75 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6,76 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 6,76 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6,75 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.65 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.19 | pH 10; Temp: 25 ° C. | (1) ACD |
| Logp | 6,761 ± 0,669 | Temp: 25 ° C. | (1) ACD |
| Masse iboende opløselighed | 2,0 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,046 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,7 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 7,6 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,5 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,5 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 7,4 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 2,0 x 10-4 g/l | Ubuffet vand pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 2,4 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,6 x 10-5 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 7,0 x 10-6 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 9,3 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3.1 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,5 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,4 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,4 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,5 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3.1 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 9,0 x 10-7 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,4 x 10-7 mol/l | Ubuffet vand pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 818.89 | ||
| PKA | 9,55 ± 0,10 | Mest sure temp: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Mest basale temp: 25 ° C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 21 | (1) ACD | |
| H acceptorer | 14 | (1) ACD | |
| H donorer | 1 | (1) ACD | |
| H donor/acceptor sum | 15 | (1) ACD | |
| Logp | 6,761 ± 0,669 | Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 818.89 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Ejendom | Værdi | Tilstandskilde |
| Polært overfladeareal | 164 A2 | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektre tilgængelige
1 H nmr
13 c nmr
| Kodeopgørelse | |
| H302 skadelig, hvis slugt | European Chemical Agency (ECHA) klassificering og mærkning Inventory - Notificeret klassificering og mærkning - Mest almindelige meddelelser, European Chemical Agency (ECHA) Klassificering og mærkningsinventar - Meddelelse af klassificering og mærkning - De mest alvorlige meddelelser |
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