![C48h54n7o-Adenonen, n-benozyl-5 '--o- [4-Methodyphyl) Phenylthyl] - Ospolylyl]](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48h54n7o -8p adenonen, n-benozyl-5 '-o- [4-Methodylylyl) Phenylthyl] - O-methylyl](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48h54n7o-Adenonen, n-benozyl-5 '--o- [4-Methodyphyl) Phenylthyl] - Ospolylyl]
Fas Registry Nummer
110782-31-5
Den H335, H331, H315, H315, H311, H301: H311 + H301
| Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
| Molekular Gewiicht | 887.96 | - |
| pka (virausgesot) | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
N # CCCOP) (C6 = CC = NC = OCC (= C6) C7 = CC = CN (OC) C = CC = CC4) CS) C) C) C) C) C) C) C) C) C.
Isomeresch Laachen
C (oc [c (nc (= o) c4 = cc = cc = c4) n = cn3) (C5 = CC = o1 = C (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = CC = CC = CC = C7
Inchi
Inchi = 1s / c48h54n7o8p / C1-32 (23-3-51-45 (61-28-49-49-49-49-49-4007 6) 34-15-10-8-16-34) 29-60.15-26,9-18-30.36-19-23-38 (5-2016 (57-55-36 (57-21-21-6 2-43.47h, 14.28-29h2h2,17h3, (H, 505.53,56), 44-, 44-, 44--, 44--, 44-
Inchi Schlëssel
Azcgotuyepxhmj-psvhyzmasa-n
2 aner Nimm fir dës Substanz
ADNOONSINE,N-Benzoyl-5 '-O- [BIS (4-Joretixophyl) Phenylmthyl] -2 '-O-methyl-, 3 '- [2-cyanethyl Bis (1-Methylylylyl) Phosphoamidite] (9ci); 5 '- -O- (4,4 '-Dimethoxtraghatglat) -n6-Benzoyl-2' -O-Methyladonen 3 '- (2-CyanoanethylN,N-Diisopropylphosphoramidite)
Spektre verfügbar
13 c nmr
Hetero nmr
Mass vun Mass
Eegeschafte verfügbar
Biologesch
Chemeschen
Lipinski
Struktur verbonnen
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| BIKOCONSENTRATIOUN FIELD | 4050 | pH 1; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.08 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 8; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2.10 X 105 | pH 9; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 60800 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kokéieren | 1830 | pH 1; Temp: 25 ° C | (1) ACD |
| Kokéieren | 48700 | pH 2; Temp: 25 ° C | (1) ACD |
| Kokéieren | 4.91 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Kokéieren | 1.52 X 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Kokéieren | 1.90 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Kokéieren | 1.91 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Kokéieren | 1,57 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kokéieren | 5.78 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Kokéieren | 95000 | pH 9; Temp: 25 ° C | (1) ACD |
| Kokéieren | 27500 | ph 10; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 6.01 | pH 1; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 7.43 | pH 2; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 8.44 | pH 3; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 8.93 | pH 4; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 9.02 | pH 5; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 9.02 | pH 6; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 8.94 | pH 7; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 8.51 | pH 8; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 7.72 | pH 9; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 7.1,18 | ph 10; Temp: 25 ° C | (1) ACD |
| AloggenO Aloggen | 9.038 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Mass intrinsesch Solubilitéit | 1.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,014 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 5.3 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 5.3 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1,7 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1.3 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1.3 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1,7 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 4,5 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 2.8 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.8 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1,7 x 10-5 g / l | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
| Molar intrinsesch Solubilitéit | 1,6 x 10-8 Mol / l | Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.6 X 10-5 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 6.0 x 10-7 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 6.0 x 10-8 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.9 X 10-8 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1,5 x 10-8 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Molar sublabilitéit | 1,5 x 10-8 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.9 X 10-8 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 5.1 x 10-8 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 3.1 x 10-7 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.1 x 10-6 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.9 X 10-8 MOL / L | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 887.96 | ||
| paka | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C | (1) ACD |
| paka | 3.45 ± 0.70 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Fräi rotativ Obligatiounen | 19 | (1) ACD | |
| H Akzeptoren | 15 | (1) ACD | |
| H Donateuren | 1 | (1) ACD | |
| H Spender / Acceptor Zomm | 16 | (1) ACD | |
| AloggenO Aloggen | 9.038 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 887.96 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Konditiounsquell |
| Polarfläch | 178 A2 Bues 178 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1 h nmr
13 c nmr
| CODE CODEN | Gefor Ausso | Quellatioun |
| H335 | Kann otpiratoresch Reizung verursaachen | Expert gekämpft |
| CODE CODEN | Gefor Ausso | Quellatioun |
| H331 | Gëfteg wann inhaléiert | Expert gekämpft |
| H319 | Bewierkt datt serieux Aen irritation | Expert gekämpft |
| H315 | Bewierkt Hautirritatiounen | Expert gekämpft |
| H311 | Gëfteg am Kontakt mat Haut | Expert gekämpft |
| H301 + H311 + H331 | Gëfteg wann se geschluecht ass, a Kontakt mat Haut oder vun inhaléiert | Expert gekämpft |
| H301 | Gëfteg wann geschluecht ginn | Expert gekämpft |
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