C30h28N8N2O7 6H7 6HO [3,5] okrisolo [3,2-nji peçli) --a pirruldin (9C, ACI)
Esasy fiziki aýratynlyklary | Bahasy | Ýagdaýy |
Molekulýar agramy | 528.55 | - |
Ereýän nokady (tejribe) | 129.5-130 ° C. | - |
Gaýnadylan nokady (çak edilýär) | 688.2 ± ± 65.0 ° C. | MEKDEB: 760 torr |
Dykyzlygy (çak edilýär) | 1.35 ± 0,1,1 g / cm3 | Bu bellik: 20 ° C; MEKDEB: 760 torr |
pka (çak edilýär) | 12.51 ± 0.40 | "Kisidik temp: 25 ° C. |
Kanoniki ýylgyryşlar o = c1n = c2oc3c (O) c (c = 4c = cc = cc = cc = cc = cc = cc = cc = cc = c f = cc = c (ok) c = c6
Isomceriv
Inchi
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25 (33) 31-29 / h3-17,24,24,24,26-28,34h, L24-, 26-, 22-3 / m1 / s1
Inchi açary
OeirlwhcGG-AOGFTDW-AOOFTTTWWWWSA-n
Bu madda üçin 2 başga at
(2er, 3) -2 - [[4,3 metjit)-so) -2,3-nji, 35] oklilin-6h,7] okrokolla (35] okadolo [3,2-nji) 6h-furro [2 ', 3,5] okregolo [3,2-a) okrimildin-6-dan, 2 --,3aa (4aa) -2,3,3a,
tetrahirdrdrdrdrdrdrdr-3-ugryx-
Elýeterli häsiýetler |
Termylal |
Termylal
Emläk | Bahasy | Ýagdaýy | Çeşme |
Ereýän nokady | 129.5-130 ° C. | (1) cas |
(1) szlençi, kurkaýy; Ýadro, nucotikller we ýadros, ýadro, (2016), (2016), 35 (8), 410-425, kapital
Spektrler bar |
1H nmr |
13C nmr |
IR |
Massa |
Çak edilýän häsiýetleri
Elýeterli häsiýetler |
Biologiki |
Himiki |
Dykyzlygy |
Lipinski |
Gurluşy |
Termylal |
Biologiki
Emläk | Bahasy | Ýagdaýy | Çeşme |
Bionokententrasiýa faktory | 1360 | galasy; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1360 | galmak 2; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1360 | ph 3; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1360 | ph 4; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1360 | ph 5; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1360 | ph 6; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1360 | ph 7; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
Bionokententrasiýa faktory | 1360 | ph 8; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1360 | ph 9; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 1350 | 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 | 6080 | galasy; Memes: 25 ° C. | (1) ACD |
KOK | 6080 | galmak 2; Memes: 25 ° C. | (1) ACD |
KOK | 6080 | ph 3; Memes: 25 ° C. | (1) ACD |
KOK | 6080 | ph 4; Memes: 25 ° C. | (1) ACD |
KOK | 6080 | ph 5; Memes: 25 ° C. | (1) ACD |
KOK | 6080 | ph 6; Memes: 25 ° C. | (1) ACD |
KOK | 6080 | ph 7; Memes: 25 ° C. | (1) ACD |
KOK | 6080 | ph 8; Memes: 25 ° C. | (1) ACD |
KOK | 6070 | ph 9; Memes: 25 ° C. | (1) ACD |
KOK | 6060 | ph 10; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | galasy; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | galmak 2; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 3; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 4; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 5; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 6; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 7; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 8; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 9; Memes: 25 ° C. | (1) ACD |
surnal | 4.42 | ph 10; Memes: 25 ° C. | (1) ACD |
dilim | 4.424 ± 0.618 | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin gitmek | 5.8 X 10-4 g / l | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | galasy; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 3; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 4; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 5; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 6; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 7; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 8; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 9; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | ph 10; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 5.8 X 10-4 g / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Mollar içerki çözgüt | 1.1 x 10-6 mol / l | Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | galasy; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 3; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 4; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 5; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 6; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 7; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 8; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 9; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | ph 10; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 1.1 x 10-6 mol / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 528.55 | ||
pka | 12.51 ± 0.40 | "Kisidik temp: 25 ° C. | (1) ACD |
pka | -4.70 ± 0.60 | Esasy temp: 25 ° C. | (1) ACD |
Bug basyşy | 6.91 x 10-20 Torr | Memes: 25 ° C. | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Dykyzlygy
Emläk | Bahasy | Ýagdaýy | Çeşme |
Dykyzlygy | 1.35 ± 0,1,1 g / cm3 | Bu bellik: 20 ° C; MEKDEB: 760 torr | (1) ACD |
Woll nukagly | 389.8 ± 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 | 9 | (1) ACD | |
Emläk | Bahasy | Ýagdaýy | Çeşme |
H. | 9 | (1) ACD | |
H donorlar | 1 | (1) ACD | |
H donor / kabul ediji jem | 10 | (1) ACD | |
dilim | 4.424 ± 0.618 | Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 528.55 |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Gurluşy
Emläk | Bahasy | Ýagdaýy | Çeşme |
Polýar ýer meýdany | 99.1 A2 | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Termylal
Emläk | Bahasy | Ýagdaýy | Çeşme |
Gaýnatmak nokady | 688.2 ± ± 65.0 ° C. | MEKDEB: 760 torr | (1) ACD |
Buglygyň ýanynda | 105.96 ±6 ± 3.0 kj / mol | MEKDEB: 760 torr | (1) ACD |
Fleşko nokat | 370.0 ± 34.3 ° C. ° C. | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Spektrler bar
1H nmr
13C nmr