![C48H54N7O8P Aenosine, N-benzoyl-5 '--- [METHOXYPHENY) fenylmethyl] -2' - O-Cyanoethyl n, N-BIS (1-methylethyl) fosfor amidite] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48h54n7o8p adenosine, n-benzoyl-5 '--o- [methoxyphenyl) fenylmethyl] -2' - o - 1-methyletyl) fosphor amidite] (aci) featured image](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P Aenosine, N-benzoyl-5 '--- [METHOXYPHENY) fenylmethyl] -2' - O-Cyanoethyl n, N-BIS (1-methylethyl) fosfor amidite] (aci)
CAS Registry Number
110782-31-5
H335, H331, H319, H315, H311, H301 + H311 + H336, H301
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 887.96 | - |
| PKA (foarsizze) | 7,87 ± 0.43 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # CCCOP (OC1C (OC (N2C = NC = 3C (= nc = c = cc = c: cc = c = c = c = c = c (cv) c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c (c7) n (c (c) c) c (c (c (c) c)
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] (OP (n (c (c (c) c) Occc # n) [c @@) (o cc (n = cc = c00) n = cn3) (c5 = cc = C (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1s / c48h54n7o8p / c1-32 (2) 55 (33 (3) 4) 64 (61 (31-5-40 (62-30-52-41) 54-31-52-45 (50-30-51-45 (41) 54) 53-46 (5 6) 34-15-10-8-16-34) 29-60-48 (3-60-48 (35-17-12-9-13-35,36-19-23-38 (57-38 (57-5-25) 37-21-36) 37-22-39-39 (58-6-37 / H8-13,15-26,30-33,40,4 2-43,47h, 14,28-29H2,1-7h3, (h, 50,51,53,56) / t40-, 42-, 43-, 47-, 64? / M1 / s1
Inchi-kaai
AzCGOTUYEPXHMJ-PSVHYZMASA-N
2 oare nammen foar dizze substansje
Adenosine,N-benzoyl-5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O-Methyl-, 3 '- [2-Cyanoethyl bis (1-methylethyl) fosphoramidite] (9ci); 5 '-O- (4,4 '-dimethoxytrityl) -n6-benzoyl-2' -O-MethyLadenosine 3 '- (2-CyanoethylN,N-DiisopropLopylbfosphoramidite)
Spectra te krijen
13 C NMR
Hetero nmr
Mis
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 4050 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.08 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2.10 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 60800 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 1830 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 48700 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 4.91 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1,52 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1,90 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1.91 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1,57 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 5.78 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 95000 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 27500 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | 6.01 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 7.43 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 8.44 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 8.93 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 9.02 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 9.02 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 8.94 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 8.51 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 7.72 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 7.18 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 1,4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.014 G / L | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5.3 x 10-4 G / L | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5.3 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,5 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2,8 x 10-4 G / L | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9,8 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-5 g / l | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1.6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.6 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.0 x 10-7 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.0 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.9 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 1,5 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.9 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5.1 x 10-8 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.1 x 10-7 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.9 x 10-8 mol / l | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 887.96 | ||
| pka | 7,87 ± 0.43 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3.45 ± 0,70 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 19 | (1) ACD | |
| H akseptearders | 15 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 16 | (1) ACD | |
| Logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 887.96 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 178 A2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1 h nmr
13 C NMR
| Koade | Gefaarferklearring | Boarne |
| H335 | Kin respiratoire irritaasje feroarsaakje | Ekspert Curated |
| Koade | Gefaarferklearring | Boarne |
| H331 | Toxic as ynhaleare | Ekspert Curated |
| H319 | Feroarsaket serieuze eachirritaasje | Ekspert Curated |
| H315 | Feroarsaket hûdirritaasje | Ekspert Curated |
| H311 | Toxic yn kontakt mei hûd | Ekspert Curated |
| H301 + H311 + H331 | Toxic as se swalke, yn kontakt mei hûd of fan ynhale | Ekspert Curated |
| H301 | Toxic as se swalke | Ekspert Curated |
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