C41H39NO6 1-pyrrolidinecarboxylic asid, 2-[[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-, 9h-fluoren-9-flmethyl ester, (2s, 4r)-(9 ci, aci)))

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	641.75	-
Berwbwynt (a ragwelir)	768.7 ± 60.0 ° C.	Gwasg: 760 Torr
Dwysedd (a ragwelir)	1.237 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	14.50 ± 0.40	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7
Gwên isomerig C (OC [C@H] 1N (C (OCC2C = 3C (C = 4C2 = CC = CC4) = CC = CC3) = O) C [C@H] (O) C1) (C5 = CC = C (C (OC) C = C5) (C6 = CC = C)
Inchi
InChI=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5-11-28,30-18-22-34(46-2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44) 47-27-39-37-14-8-6-12-35 (37) 36-13-7-9-15-38 (36) 39/h3-23,31-32,39,43h, 24-27h2,1-2h3/t31-, 32+/m0/s1
Allwedd inchi
QpxskgjQeBdWES-AJQTZOPKSA-N
2 enw arall ar gyfer y sylwedd hwn
Asid 1-pyrrolidinecarboxylic, 2-[[bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-, 9h-fluoren-9 -ylmethyl ester, (2s-trans)-(zci); 9h-fluoren-9 -ylmethyl (2s, 4r) -2-[[bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-1-pyrrolidinecarboxylate (ACI)

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Thermol

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	7.70 x 105	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 4; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 6; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 7; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 8; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	7.70 x 105	Ph 10; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
log	8.29	Ph 1; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 2; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 3; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 4; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 5; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 6; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 7; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 8; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 9; TEMP: 25 ° C.	(1) ACD
log	8.29	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	8.289 ± 0.729	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	4.7 x 10-6 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.7 x 10-6 g/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	7.3 x 10-9 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.3 x 10-9 mol/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	641.75
PKA	14.50 ± 0.40	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	-3.24 ± 0.60	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD
Pwysau anwedd	7.42 x 10-25 Torr	TEMP: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.237 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	518.4 ± 3.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	12		(1) ACD
H Derbynyddion	7		(1) ACD
H rhoddwyr	1		(1) ACD
H rhoddwr/derbynnydd swm	8		(1) ACD
logio	8.289 ± 0.729	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	641.75

Strwythur yn gysylltiedig

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Arwynebedd pegynol	77.5 A2	(1) ACD

Thermol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Berwbwyntiau	768.7 ± 60.0 ° C.	Gwasg: 760 Torr	(1) ACD
Enthalpi anweddiad	117.42 ± 3.0 kJ/mol	Gwasg: 760 Torr	(1) ACD
Phwynt fflach	418.7 ± 32.9 ° C.		(1) ACD