C38H49NO7 1- Asid pyrrolidinedodecanoic, 2- [[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2s, 4r)-(aci)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	631.80	-
Berwbwynt (a ragwelir)	779.4 ± 60.0 ° C.	Gwasg: 760 Torr
Dwysedd (a ragwelir)	1.154 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	4.78 ± 0.10	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwên Canonaidd O = C (O) CCCCCCCCCCC (= O) N1CC (O) CC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = CC = C (OC) C = C1
Isomeric SMILES C(OC[C@H]1N(C(CCCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4
Inchi
Inchi = 1s/c38h49no7/c1-44-34-34-22-18-30 (19-23-34) 38 (29-14-10-9-11-15-29,31-20-24-35 (45-2) 25-21-31) 46-28-32-26-33 (4) 27 (32 (427 (4226-33 (426-33 36 (41) 16-12-7-5-3-4-6-8-13-17-37 (42) 43/H9-11,14-15,18-25,32-33,40h, 3-8,12-13,16-17,26-28H2,1-0)
Allwedd inchi
Ceyltmdxadtbel-jhousysjsa-n
1 enw arall ar y sylwedd hwn
(2s, 4r) -2-[[bis (4-methoxyphenyl) phenylmethoxy] methyl] -4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic asid (ACI)

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Thermol

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	2.46 x 105	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.46 x 105	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.42 x 105	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.11 x 105	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	92400	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	14000	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1510	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	192	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	58.6	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	45.3	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	2.52 x 105	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	2.51 x 105	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	2.47 x 105	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	2.16 x 105	Ph 4; TEMP: 25 ° C.	(1) ACD
Koc	94500	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	14300	Ph 6; TEMP: 25 ° C.	(1) ACD
Koc	1550	Ph 7; TEMP: 25 ° C.	(1) ACD
Koc	196	Ph 8; TEMP: 25 ° C.	(1) ACD
Koc	59.9	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	46.3	Ph 10; TEMP: 25 ° C.	(1) ACD
log	7.40	Ph 1; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
log	7.40	Ph 2; TEMP: 25 ° C.	(1) ACD
log	7.39	Ph 3; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 4; TEMP: 25 ° C.	(1) ACD
log	6.97	Ph 5; TEMP: 25 ° C.	(1) ACD
log	6.15	Ph 6; TEMP: 25 ° C.	(1) ACD
log	5.19	Ph 7; TEMP: 25 ° C.	(1) ACD
log	4.29	Ph 8; TEMP: 25 ° C.	(1) ACD
log	3.77	Ph 9; TEMP: 25 ° C.	(1) ACD
log	3.66	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	7.397 ± 0.598	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	1.3 x 10-4 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.3 x 10-4 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.3 x 10-4 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.3 x 10-4 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.5 x 10-4 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-4 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.3 x 10-3 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.021 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.17 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.55 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.69 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.3 x 10-3 g/l	Dŵr heb ei drin pH 5.73; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	2.1 x 10-7 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.1 x 10-7 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.1 x 10-7 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.1 x 10-7 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.4 x 10-7 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.5 x 10-7 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.6 x 10-6 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.4 x 10-5 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.7 x 10-4 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	8.7 x 10-4 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	1.1 x 10-3 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.1 x 10-6 mol/l	Dŵr heb ei drin pH 5.73; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	631.80
PKA	4.78 ± 0.10	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	-2.31 ± 0.60	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD
Pwysau anwedd	1.42 x 10-25 Torr	TEMP: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.154 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	547.3 ± 3.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	20		(1) ACD
H Derbynyddion	8		(1) ACD
H rhoddwyr	2		(1) ACD
H rhoddwr/derbynnydd swm	10		(1) ACD
logio	7.397 ± 0.598	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	631.80

Strwythur yn gysylltiedig

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Arwynebedd pegynol	106 A2	(1) ACD

Thermol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Berwbwyntiau	779.4 ± 60.0 ° C.	Gwasg: 760 Torr	(1) ACD
Enthalpi anweddiad	118.97 ± 3.0 kJ/mol	Gwasg: 760 Torr	(1) ACD
Phwynt fflach	425.2 ± 32.9 ° C.		(1) ACD