C39H37n5O7 ANENSINE, N-Benzuil-5'-O- [Bis (4-Metoxyfheil] founllLmmeth] founllLmmeth] founllLmmeth] -2 ýaş (9ci, aki)
Esasy fiziki aýratynlyklary | Bahasy | Ýagdaýy |
Molekulýar agramy | 687.74 | - |
Dykyzlygy (çak edilýär) | 1.32 ± 0.1 G / CM3 | Bu bellik: 20 ° C; MEKDEB: 760 torr |
pka (çak edilýär) | 7.87 ± 0.43 | "Kisidik temp: 25 ° C. |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC)C=7C=CC=CC7
ISOMICICK ýylgyrýar
C (ok [h] 1o [c @ h] 1o [c @ h] (oc C7 = CC = CC = CC = C7
Inchi
Inchi = 1s / c39h37n5-29-19-19-19-19 " 31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,
34-3-3-3-3 / M1 / S1
Inchi açary
Sarhdaqooznkznks-cjeegosrcashassa-n
Bu madda üçin başga bir at
N-benzoil -5'-O- [Bis (4-metsoxyphelil) fonlllyellf] -2'-O-methleýany (aci)
Spektrler bar
1H nmr
13C nmr
Massa
Elýeterli häsiýetler
Biologiki
Himiki
Dykyzlygy
Lipinski
Gurluşy
Biologiki
Emläk | Bahasy | Ýagdaýy | Çeşme |
Bionokententrasiýa faktory | 47800 | galasy; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.63 x 105 | galmak 2; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2.16 x 105 | ph 3; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2.23 x 105 | ph 4; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2.23 x 105 | ph 5; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2.18 x 105 | ph 6; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1.79 x 105 | ph 7; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 64900 | ph 8; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 10600 | ph 9; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 3110 | 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 | 50200 | galasy; Memes: 25 ° C. | (1) ACD |
KOK | 1.71 x 105 | galmak 2; Memes: 25 ° C. | (1) ACD |
KOK | 2.26 x 105 | ph 3; Memes: 25 ° C. | (1) ACD |
KOK | 2.34 x 105 | ph 4; Memes: 25 ° C. | (1) ACD |
KOK | 2.34 x 105 | ph 5; Memes: 25 ° C. | (1) ACD |
KOK | 2.29 x 105 | ph 6; Memes: 25 ° C. | (1) ACD |
KOK | 1.88 x 105 | ph 7; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
KOK | 68000 | ph 8; Memes: 25 ° C. | (1) ACD |
KOK | 11200 | ph 9; Memes: 25 ° C. | (1) ACD |
KOK | 3260 | ph 10; Memes: 25 ° C. | (1) ACD |
surnal | 6.67 | galasy; Memes: 25 ° C. | (1) ACD |
surnal | 7.21 | galmak 2; Memes: 25 ° C. | (1) ACD |
surnal | 7.33 | ph 3; Memes: 25 ° C. | (1) ACD |
surnal | 7.34 | ph 4; Memes: 25 ° C. | (1) ACD |
surnal | 7.34 | ph 5; Memes: 25 ° C. | (1) ACD |
surnal | 7.33 | ph 6; Memes: 25 ° C. | (1) ACD |
surnal | 7.25 | ph 7; Memes: 25 ° C. | (1) ACD |
surnal | 6.80 | ph 8; Memes: 25 ° C. | (1) ACD |
surnal | 6.02 | ph 9; Memes: 25 ° C. | (1) ACD |
surnal | 5.49 | ph 10; Memes: 25 ° C. | (1) ACD |
dilim | 7.3444 ± 0.723 | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin gitmek | 2.7 x 10-6 g / l | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.2 x 10-5 g / l | galasy; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.7 x 10-6 g / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 2.8 x 10-6 g / l | ph 3; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 2.8 x 10-6 g / l | ph 4; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 2.8 x 10-6 g / l | ph 5; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 2.8 x 10-6 g / l | ph 6; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.4 x 10-6 g / l | ph 7; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 9.6 x 10-6 g / l | ph 8; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.7 x 10-5 g / l | ph 9; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 1.9 x 10-4 g / l | ph 10; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.4 x 10-6 g / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Mollar içerki çözgüt | 3.9 x 10-9 mol / l | Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.8 x 10-8 mol / l | galasy; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 5.4 x 10-9 mol / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 4.1 x 10-9 mol / l | ph 3; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 4.0 x 10-9 mol / l | ph 4; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 4.0 x 10-9 mol / l | ph 5; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
Molar selubkasy | 4.0 x 10-9 mol / l | ph 6; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 4.9 x 10-9 mol / l | ph 7; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.4 x 10-8 mol / l | ph 8; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 8.3 x 10-8 mol / l | ph 9; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 2.8 x 10-7 mol / l | ph 10; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 4.9 x 10-9 mol / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 687.74 | ||
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 | 1.32 ± 0.1 G / CM3 | Bu bellik: 20 ° C; MEKDEB: 760 torr | (1) ACD |
Woll nukagly | 518.5 ± ± 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 | 12 | (1) ACD | |
H. | 12 | (1) ACD | |
H donorlar | 2 | (1) ACD | |
H donor / kabul ediji jem | 14 | (1) ACD | |
dilim | 7.3444 ± 0.723 | Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 687.74 |
(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
Spektrler bar
13C nmr