C50h58n7ox9P ANONOS, N-Benzoyl-5'- [4-Methodyphyl) Phenylthylyl] - 1-methylylyl.
Fas Registry Nummer
251647-53-7
H302
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 932.01 | - |
pka (virausgesot) | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
N # CCCOP (OC1C (C6 (NC = 3C (oc = nc = c6) c7 = CC = CC = CC = CC4) C = C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C) C
Isomeresch Laachen
C (3c (n = c2) = c (nc (o) c4 = cc = cc = c4) n) [cn3) (CN3) (CN3) (CN3) (CN3) (O1 = Cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC
Inchi
Inchi = 1S / C50H58n7o9P / C1-34 (2) 55 (3) 4,4-20-38) 3 9-21-25-41 (51-7) 36-15-15-198-11 (42-30-29-53,15-26 32-35 Drëtt August,44-45.49h, ginn 14,200-32,1003, 42 oder T1 4 Auer 4,58.
Inchi Schlëssel
VPBYBQBHlyrlhg-hdmawcrfsa-n
16 aner Nimm fir dës Substanz
ADNOONSINE,N-Benzoyl-5 '-O- [BIS (4-Joretixophyl) Phenylmthyl] -2 '-O- (2-Catoyethyl) -, 3 '- [2-Cyanethyl Bis (1 methylylyl)
Phosphoramidite] (9ci); 16: Pn: US20030211606 Page: 19 verdeedegt Sequenz; 16: PN: US20030212017 Page: 20 behaapt Sequenz; 17: PN: US20040005569 Säit: 22 fuerdere Sequenz; 19: PN: US20040006033 Page: 23 behaapt Sequenz; 19: Pn: US200400140477
Säit: 21 verdeelt Sequenz; 19: PN: US200400144049 Page: 21 verdeedegt Sequenz; 20: PN: US20040005570 Säit: 20 behaapt
Sequenz; 20: Pn: US200400144048 Säit: 21 behaapt Sequenz; 20: Pn: US20040014050 Page: 20 behaapt Sequenz; 21: pn: u
S20040005565 Page: 17- 32 Called Sequenz; 21: PN: US20040010010551 Page: 23 behaapt Sequenz; 22: PN: US20040014699 Page: 20 behaapt Sequenz; 23: PN: US20040006029 Säit: 23 Verwaltung obligéiert d'Seefinanzéierung; 23: PN: Wo03106645 Page: 73 behaapt Sequenz; 94: P N: US20040005707 Säit: 20 behaapt Sequenz
Spektre verfügbar
1 h nmr
13 c nmr
Hetero nmr
Eegeschafte verfügbar
Biologesch
Chemeschen
Lipinski
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 2680 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 71500 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 7.21 x 105 | 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 | 8.48 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.39 X 105 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 40300 | 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 | 1360 Auer | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 36300 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 3.66 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.13 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 1.42 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.42 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.17 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 4.30 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 70800 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 20500 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 5.77 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.20 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 8.20 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 8.69 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 8.79 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 8.79 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 8.71 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 8.277 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 7.49 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 6.95 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 5.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 0,051 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.9 x 10-3 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.9 X 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 6.0 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.8 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.8 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.8 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.6 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.3 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.6 x 10-3 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 5.7 x 10-5 g / l | UNBUFFERERT WATER PH 697; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 5.8 X 10-8 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.5 x 10-5 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2.0 x 10-6 Mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 2.0 x 10-7 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.4 x 10-8 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.1 x 10-8 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.1 x 10-8 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.2 x 10-8 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1,7 x 10-7 Mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.0 X 10-6 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.9 x 10-6 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.1 X 10-8 MOL / L | UNBUFFERERT WATER PH 697; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 932.01 | ||
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 | 22 | (1) ACD | |
H Akzeptoren | 16 | (1) ACD | |
H Donateuren | 1 | (1) ACD | |
H Spender / Acceptor Zomm | 17 | (1) ACD | |
AloggenO Aloggen | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 932.01 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Konditiounsquell |
Polarfläch | 187 A2 | (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 Ausrüstung Ausso Quell | |
H302 schiedlech wann geschluecht | Europäesch Chicier Agentur (Echa) Klassifikatioun & Laboring Inventaire - Notéiert Klassifikatioun an d'Label - déi meescht allgemeng Notifikatiounen, Europäesch Chicier Agentur (Echa) Klassifikatioun & Laboring Inventar - Notéiert Klassifikatioun an de Label - déi schlëmm Notifikatiounen |