C44H4H49NN5OYEOLI ANENOIN, N-Benzoil-5'-O- A - [1-Methilylethillynl] - (1,1-dimnetikit) - (9ci, aki)
Esasy fiziki aýratynlyklary | Bahasy | Ýagdaýy |
Molekulýar agramy | 787.98 | - |
Dykyzlygy (çak edilýär) | 1.23 ± 0,1,1 G / cm3 | Bu bellik: 20 ° C; MEKDEB: 760 torr |
pka (çak edilýär) | 7.87 ± 0.43 | "Kisidik temp: 25 ° C. |
Kanoniki ýylgyryşlar
O = c (nc1 = nc = nc2 = cc2c3oc (c = cc) c (c = 4c) c (c = c) c (c = c) c (c = c) c (c
ISOMICICK ýylgyrýar
C (ok [h] 1o [c @ h] 1o [c @ h] (c @ c) (c @ c) 1O C (= o) c4 = cc = cc = cc = cc = cc = c (c5 = cc = c f = cc = c f = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c7)
Inchi
Inchi = 1s / c44h49n5si / c1-43 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51) / T35-, 37-, 38-8-8-3- / M1 / S1
Inchi açary
Dazygopasnjpcj-Gnecsjiwsa-n
Bu madda üçin 2 başga at
N-benzoil-5'-O- [Bis (4-metiloxheil) -2 -2'-O - [(1,1 1-dimetiltithyll) N6-benzoil-5'-O- (4,4 smethoxyythLitr) -2'-benimdimirtmiyl) -2-den
Spektrler bar
1H nmr
Hetero NMR
Elýeterli häsiýetler |
Biologiki |
Himiki |
Dykyzlygy |
Lipinski |
Gurluşy |
Biologiki
Emläk | Bahasy | Ýagdaýy | Çeşme |
Bionokententrasiýa faktory | 1.00 x 106 | galasy; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | galmak 2; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | ph 3; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | ph 4; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | ph 5; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | ph 6; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | ph 7; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | ph 8; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.00 x 106 | ph 9; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 5.41 x 105 | ph 10; Memes: 25 ° C. | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Himiki
Emläk | Bahasy | Ýagdaýy | Çeşme |
KOK | 2.01 x 106 | galasy; Memes: 25 ° C. | (1) ACD |
KOK | 6.87 x 106 | galmak 2; Memes: 25 ° C. | (1) ACD |
KOK | 9.08 x 106 | ph 3; Memes: 25 ° C. | (1) ACD |
KOK | 9.38 x 106 | ph 4; Memes: 25 ° C. | (1) ACD |
KOK | 9.39 x 106 | ph 5; Memes: 25 ° C. | (1) ACD |
KOK | 9.19 x 106 | ph 6; Memes: 25 ° C. | (1) ACD |
KOK | 7.53 x 106 | ph 7; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
KOK | 2.73 x 106 | ph 8; Memes: 25 ° C. | (1) ACD |
KOK | 4.48 x 105 | ph 9; Memes: 25 ° C. | (1) ACD |
KOK | 1.31 x 105 | ph 10; Memes: 25 ° C. | (1) ACD |
surnal | 9.62 | galasy; Memes: 25 ° C. | (1) ACD |
surnal | 10.15 | galmak 2; Memes: 25 ° C. | (1) ACD |
surnal | 10.27 | ph 3; Memes: 25 ° C. | (1) ACD |
surnal | 10.29 | ph 4; Memes: 25 ° C. | (1) ACD |
surnal | 10.29 | ph 5; Memes: 25 ° C. | (1) ACD |
surnal | 10.28 | ph 6; Memes: 25 ° C. | (1) ACD |
surnal | 10.19 | ph 7; Memes: 25 ° C. | (1) ACD |
surnal | 9.75 | ph 8; Memes: 25 ° C. | (1) ACD |
surnal | 8.97 | ph 9; Memes: 25 ° C. | (1) ACD |
surnal | 8.43 | ph 10; Memes: 25 ° C. | (1) ACD |
dilim | 10.291 ± 0.708 | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin gitmek | 1.1 x 10-6 g / l | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 4.8 x 10-6 g / l | galasy; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.4 x 10-6 g / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.1 x 10-6 g / l | ph 3; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.0 x 10-6 g / l | ph 4; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.0 x 10-6 g / l | ph 5; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.0 x 10-6 g / l | ph 6; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.3 x 10-6 g / l | ph 7; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.5 x 10-6 g / l | ph 8; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 2.2 x 10-5 g / l | ph 9; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 7.6 x 10-5 g / l | ph 10; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.3 x 10-6 g / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Mollar içerki çözgüt | 1.4 x 10-9 mol / l | Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.1 x 10-9 mol / l | galasy; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.8 x 10-9 mol / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.4 x 10-9 mol / l | ph 3; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.3 x 10-9 mol / l | ph 4; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.3 x 10-9 mol / l | ph 5; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
Molar selubkasy | 1.3 x 10-9 mol / l | ph 6; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.6 x 10-9 mol / l | ph 7; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 4.5 x 10-9 mol / l | ph 8; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 2.8 x 10-8 mol / l | ph 9; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 9.6 x 10-8 mol / l | ph 10; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.6 x 10-9 mol / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 787.98 | ||
pka | 7.87 ± 0.43 | "Kisidik temp: 25 ° C. | (1) ACD |
pka | 1.39 ± 0.10 | Esasy temp: 25 ° C. | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Dykyzlygy
Emläk | Bahasy | Ýagdaýy | Çeşme |
Dykyzlygy | 1.23 ± 0,1,1 G / cm3 | Bu bellik: 20 ° C; MEKDEB: 760 torr | (1) ACD |
Woll nukagly | 639.5 ± 7.0 7.0 CM3 / mool | Bu bellik: 20 ° C; MEKDEB: 760 torr | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Lipinski
Emläk | Bahasy | Ýagdaýy | Çeşme |
Erkin aýlanýan baglanyşyklar | 14 | (1) ACD | |
H. | 12 | (1) ACD | |
H donorlar | 2 | (1) ACD | |
H donor / kabul ediji jem | 14 | (1) ACD | |
dilim | 10.291 ± 0.708 | Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 787.98 |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Gurluşy
Emläk | Bahasy | Ýagdaýy | Çeşme |
Polýar ýer meýdany | 139 A2 | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Spektrler bar
1H nmr
13C nmr