![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P adenosin, n-bensoyl-5 ′ -o- [Bis (4-metoxyfenyl) fenylmetyl] -2 ′-O- (2-metoxietyl)-, 3 ′-[2-cy-cyanoetyl N, N-Bis (1-metyletyl) fosforamidit] (Aci) use](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Cas registernummer
251647-53-7
H302
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 932.01 | - |
| PKA (förutspådd) | 7,87 ± 0,43 | Mest sura temp: 25 ° C |
Kanoniska leenden
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)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](OCCOC)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 = Cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Tum
InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36/h8-13,15-26, 32-35,42,44-45,49H, 14,28-31H2,1-7H3, (H, 52,53,55,58)/T42-, 44-, 45-, 49-, 67?/M1/S1/S1
Inchi -nyckel
Vpbybqbhlyrlhg-hdmawcrfsa-n
16 andra namn för detta ämne
Adenosin,N-Benzoyl -5 ′ -O-[Bis (4-metoxifenyl) fenylmetyl] -2 ′-O-(2-metoxietyl)-, 3 '-[2-cyanoetylbis (1-metyletyl)
fosforamidit] (9ci); 16: PN: US20030211606 SIDA: 19 Krav på sekvens; 16: PN: US20030212017 SIDA: 20 Påstådd sekvens; 17: PN: US20040005569 SIDA: 22 Krav på sekvens; 19: PN: US20040006030 Sida: 23 Krav på sekvens; 19: PN: US20040014047
Sida: 21 påstådd sekvens; 19: PN: US20040014049 SIDA: 21 Krav på sekvens; 20: PN: US20040005570 Sida: 20 Påstås
sekvens; 20: PN: US20040014048 SIDA: 21 Krav på sekvens; 20: PN: US20040014050 SIDA: 20 Påstådd sekvens; 21: PN: U
S20040005565 Sida: 17- 22 Påstådd sekvens; 21: PN: US20040014051 SIDA: 23 Påstådd sekvens; 22: PN: US20040014699 SIDA: 20 Påstådd sekvens; 23: PN: US20040006029 SIDA: 23 Påstådd sekvens; 23: PN: WO03106645 SIDA: 73 Påstådd sekvens; 94: P N: US20040005707 Sida: 20 Påstådd sekvens
Spektra tillgängligt
1 H NMR
13 C NMR
Hetero nmr
Egenskaper tillgängliga
Biologisk
Kemisk
Lipinski
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 2680 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 71500 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 7.21 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 8.48 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,39 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 40300 | 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 | 1360 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 36300 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 3,66 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Koc | 1,42 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1,42 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1,17 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 4,30 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 70800 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 20500 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 5.77 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.20 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 8.20 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 8.69 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 8.79 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 8.79 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 8.71 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 8.27 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.49 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.95 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 8.803 ± 0,766 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 5,4 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,051 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,9 x 10-3 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,9 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 6,0 x 10-5 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,8 x 10-5 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,8 x 10-5 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5,8 x 10-5 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,6 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,3 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,6 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5,7 x 10-5 g/L | Obuffrat vatten pH 6,97; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 5,8 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,5 x 10-5 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,0 x 10-6 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 2,0 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 6.4 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5.1 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5.1 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 6.2 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,7 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,0 x 10-6 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,9 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 6.1 x 10-8 mol/l | Obuffrat vatten pH 6,97; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 932.01 | ||
| pka | 7,87 ± 0,43 | 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 | 22 | (1) ACD | |
| H acceptorer | 16 | (1) ACD | |
| H givare | 1 | (1) ACD | |
| H givare/acceptor summa | 17 | (1) ACD | |
| inloggning | 8.803 ± 0,766 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 932.01 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Konditionskälla |
| Polär yta | 187 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
| Kod Hazard Statement Source | |
| H302 skadlig om den sväljs | European Chemical Agency (ECHA) Klassificering och märkning Inventering - Anmäld klassificering och märkning - vanligaste aviseringar, European Chemical Agency (ECHA) Klassificering och märkning av inventering - anmäld klassificering och märkning - mest allvarliga aviseringar |
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