C39h37nno7 Edenesinese, N-Benzoyl-5'-be- [14-E-Methylmethyl] -2- O-Methyl- (9ci, aci) setšoantšo

C39h37nno7 Edenesinen, N-Benzoyl-5'-be- [Bis (4-Methylmethyl]-(9ci, aci)

Tlhahisoleseling ea mantlha:

Lintlha tsa sehlahisoa

Li-tag tsa lihlahisoa

LITLHAKISO TSA 'Mele

Thepa ea bohlokoa ea 'mele	Boleng	Boemo
Boima ba Molecular	687.74	-
Mabenyane (a boletsoeng esale pele)	1.32 ± 0.1 g / cm3	Temp: 20 ° C; Tobetsa: 760 Torr
pka (e boletsoeng esale pele)	7.87 ± 0.43	Boholo ba tempele ea acidic: 25 ° C

Mabitso a mang le khethollo

Cannonical Smiles O = C (NC1 = NC1 = NC2 = CC4 = CC4 = CC4 = CC4) C3 = CC3) C
Isomerica e bososela
C (Oc [C @ h] 1o [C @ h] ([C @ h] (
Inchi
Inchi = 1 / c39h37nno7 / c1-47-18-14-14-14-14-14-14-14-14-16-20-30) 34 (49-3) 34 (41-3) 34 (49-3) 34 (49-3) 34 (41-3) 34 (49-3 31) 44-24-42-32-35 (40-23-41-25 / H41,46,46,46,46,48,46,48,46,48,46,48,46,46,48,46,46,48,46,46- 33-
34- (38- / M1 / S1
Senotlolo sa Inchi
Sarhdaqzkzc-cjegosrcsa-n
1 Lebitso le leng bakeng sa ntho ena
N-benzoyl-5'-o- [0-methygenyl) PhenylMethyl] -2'-methyladesenone (aci)

Tekanyetso ea pono ea liteko

Spectra e fumanehang
1h nmr
13c nmr
Mass

Lipapatso tse boletsoeng esale pele

Thepa e fumanehang
Sa tlhaho
Lik'hemik'hale
Letsoalo
LIPINSSKI
Sebopeho se amanang le

Sa tlhaho

Thepa	Boleng	Boemo	Mohloli
Linkho tsa BioCentration	47800	ph 1; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.63 x 105	ph 2; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	2.16 x 105	ph 3; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	2.23 x 105	PH 4; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	2.23 x 105	ph 5; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	2.18 x 105	PH 6; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.79 x 105	PH 7; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	64900	PH 8; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	10600	ph 9; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	3110	ph 10; TEMP: 25 ° C	(1) ACD

Lik'hemik'hale

Thepa	Boleng	Boemo	Mohloli
Koc	50200	ph 1; TEMP: 25 ° C	(1) ACD
Koc	1.71 x 105	ph 2; TEMP: 25 ° C	(1) ACD
Koc	2.26 x 105	ph 3; TEMP: 25 ° C	(1) ACD
Koc	2.34 x 105	PH 4; TEMP: 25 ° C	(1) ACD
Koc	2.34 x 105	ph 5; TEMP: 25 ° C	(1) ACD
Koc	2.29 x 105	PH 6; TEMP: 25 ° C	(1) ACD
Koc	1.88 x 105	PH 7; TEMP: 25 ° C	(1) ACD

Thepa	Boleng	Boemo	Mohloli
Koc	68000	PH 8; TEMP: 25 ° C	(1) ACD
Koc	11200	ph 9; TEMP: 25 ° C	(1) ACD
Koc	3260	ph 10; TEMP: 25 ° C	(1) ACD
logd	6.67	ph 1; TEMP: 25 ° C	(1) ACD
logd	7.21	ph 2; TEMP: 25 ° C	(1) ACD
logd	7.33	ph 3; TEMP: 25 ° C	(1) ACD
logd	7.34	PH 4; TEMP: 25 ° C	(1) ACD
logd	7.34	ph 5; TEMP: 25 ° C	(1) ACD
logd	7.33	PH 6; TEMP: 25 ° C	(1) ACD
logd	7.25	PH 7; TEMP: 25 ° C	(1) ACD
logd	6.80	PH 8; TEMP: 25 ° C	(1) ACD
logd	6.02	ph 9; TEMP: 25 ° C	(1) ACD
logd	5.49	ph 10; TEMP: 25 ° C	(1) ACD
Logp	7.344 ± 0.723	TEMP: 25 ° C	(1) ACD
Mass Interrincic solubility	2.7 x 10-6 g / l	TEMP: 25 ° C	(1) ACD
Mass Slisedity	1.2 x 10-5 g / l	ph 1; TEMP: 25 ° C	(1) ACD
Mass Slisedity	3.7 x 10-6 g / l	ph 2; TEMP: 25 ° C	(1) ACD
Mass Slisedity	2.8 x 10-6 g / l	ph 3; TEMP: 25 ° C	(1) ACD
Mass Slisedity	2.8 x 10-6 g / l	PH 4; TEMP: 25 ° C	(1) ACD
Mass Slisedity	2.8 x 10-6 g / l	ph 5; TEMP: 25 ° C	(1) ACD
Mass Slisedity	2.8 x 10-6 g / l	PH 6; TEMP: 25 ° C	(1) ACD
Mass Slisedity	3.4 x 10-6 g / l	PH 7; TEMP: 25 ° C	(1) ACD
Mass Slisedity	9.6 x 10-6 g / l	PH 8; TEMP: 25 ° C	(1) ACD
Mass Slisedity	5.7 x 10-5 g / l	ph 9; TEMP: 25 ° C	(1) ACD
Mass Slisedity	1.9 x 10-4 g / l	ph 10; TEMP: 25 ° C	(1) ACD
Mass Slisedity	3.4 x 10-6 g / l	Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C	(1) ACD
Molala oa Molala oa Molala	3.9 x 10-9 Mol / L	TEMP: 25 ° C	(1) ACD
Molala ea lla	1.8 x 10-8 MOL / L	ph 1; TEMP: 25 ° C	(1) ACD
Molala ea lla	5.4 x 10-9 Mol / L	ph 2; TEMP: 25 ° C	(1) ACD
Molala ea lla	4.1 x 10-9 Mol / L	ph 3; TEMP: 25 ° C	(1) ACD
Molala ea lla	4.0 x 10-9 Mol / L	PH 4; TEMP: 25 ° C	(1) ACD
Molala ea lla	4.0 x 10-9 Mol / L	ph 5; TEMP: 25 ° C	(1) ACD

Thepa	Boleng	Boemo	Mohloli
Molala ea lla	4.0 x 10-9 Mol / L	PH 6; TEMP: 25 ° C	(1) ACD
Molala ea lla	4.9 x 10-9 Mol / L	PH 7; TEMP: 25 ° C	(1) ACD
Molala ea lla	1.4 x 10-8 MOL / L	PH 8; TEMP: 25 ° C	(1) ACD
Molala ea lla	8.3 x 10-8 MOL / L	ph 9; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.8 x 10-7 Mol / L	ph 10; TEMP: 25 ° C	(1) ACD
Molala ea lla	4.9 x 10-9 Mol / L	Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C	(1) ACD
Boima ba Molecular	687.74
pka	7.87 ± 0.43	Boholo ba tempele ea acidic: 25 ° C	(1) ACD
pka	1.39 ± 0.10	Boholo ba mosebetsi oa mantlha: 25 ° C	(1) ACD

Letsoalo

Thepa	Boleng	Boemo	Mohloli
Letsoalo	1.32 ± 0.1 g / cm3	Temp: 20 ° C; Tobetsa: 760 Torr	(1) ACD
Molumo oa Molalar	518.5 ± 7.0 cm3 / mol	Temp: 20 ° C; Tobetsa: 760 Torr	(1) ACD

LIPINSSKI

Thepa	Boleng	Boemo	Mohloli
Li-litlama tse potolohileng ka bolokolohi	12		(1) ACD
H	12		(1) ACD
H donors	2		(1) ACD
H donor / Canot	14		(1) ACD
Logp	7.344 ± 0.723	TEMP: 25 ° C	(1) ACD
Boima ba Molecular	687.74