118 re36h44n2o8si wridine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimethylethyl) dimethylsilyl]-(9ci, aci)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	660.83	-
Dwysedd (a ragwelir)	1.24 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	9.39 ± 0.10	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2O[Si](C)(C)C(C)(C)C
Gwenau isomerig
C (OC [C@H] 1O [C@H] ([C@H] (O [Si] (C (C) (C) C) (C)) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = C3 = CC = C (oc) = C 1) (c
Inchi
Inchi = 1S/C36H44N2O8SI/C1-35 (2,3) 47 (6,7) 46-32-31 (40) 29 (45-33 (32) 38-22-21-30 (39) 37-34 (38) 23-13-13-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33-33 (41) 23-13-13-33-33-33-33-33-33-33 (38) 17-27 (42-4) 18-14-25) 26-15-19-28 (43-5) 20-16-26/H8-22,29,31-33,40h, 23h2,1-7H3, (h, 37,39,41)/t29-, 31-, 32-/s1/
Allwedd inchi
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 enw arall ar gyfer y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimethylethyl) dimethylsilyl] wridine (ACI); 2'-o-tert-butyldimethylsilyl-5'-o- (4,4'- dimethoxytrityl)

Sbectra arbrofol

Sbectra ar gael
1h nmr
13c nmr
Hetero nmr
Torfol

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	2.21 x 105	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.21 x 105	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.21 x 105	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.21 x 105	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.21 x 105	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.21 x 105	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.20 x 105	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.12 x 105	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.54 x 105	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	42500	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	2.33 x 105	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	2.33 x 105	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	2.33 x 105	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	2.33 x 105	Ph 4; TEMP: 25 ° C.	(1) ACD
Koc	2.33 x 105	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	2.33 x 105	Ph 6; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	2.32 x 105	Ph 7; TEMP: 25 ° C.	(1) ACD
Koc	2.23 x 105	Ph 8; TEMP: 25 ° C.	(1) ACD
Koc	1.62 x 105	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	44800	Ph 10; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 1; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 2; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 3; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 4; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 5; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 6; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 7; TEMP: 25 ° C.	(1) ACD
log	7.32	Ph 8; TEMP: 25 ° C.	(1) ACD
log	7.18	Ph 9; TEMP: 25 ° C.	(1) ACD
log	6.62	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	7.334 ± 0.643	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	3.5 x 10-5 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.6 x 10-5 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.0 x 10-5 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.9 x 10-4 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-5 g/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	5.3 x 10-8 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.3 x 10-8 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.3 x 10-8 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.3 x 10-8 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.3 x 10-8 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	5.3 x 10-8 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.3 x 10-8 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.3 x 10-8 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.5 x 10-8 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.6 x 10-8 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.8 x 10-7 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.3 x 10-8 mol/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	660.83
PKA	9.39 ± 0.10	Mwyaf Temp Asidig: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.24 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	528.8 ± 5.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	13		(1) ACD
H Derbynyddion	10		(1) ACD
H rhoddwyr	2		(1) ACD
H rhoddwr/derbynnydd swm	12		(1) ACD
logio	7.334 ± 0.643	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	660.83