Cbb214 1-Pyrrolitroxyric acidboin, 4-hydroxy-2- (hydroxy-2- (9h-, 4R) - (9ci, aci) setšoantšo se hlahisitsoeng

Cb20214 1-PyrrolightboxyNe, 4-hydroxy-2- (hydroxyMethyl-2- (9h-, 4r) - (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	339.39	-
Sekhahla sa ho pheha (se boletsoeng esale pele)	549.8 ± 40.0 ° C	Tobetsa: 760 Torr
Mabenyane (a boletsoeng esale pele)	1.318 ± 0.06 g / cm3	Temp: 20 ° C; Tobetsa: 760 Torr
pka (e boletsoeng esale pele)	14.53 ± 0.40	Boholo ba tempele ea acidic: 25 ° C

Mabitso a mang le khethollo

Cannonical Smiles O = C (C (C (C (C (C (C (C
Isomeric Smiles c (OC (= O) n1 [C @ H] (C @ H] (C @ H] (C @@ H] (C.C2 = CC3 CC3
Inchi
Inchi = 1 / c20h2no4 / c22-11-13-9-14-7-27-13-13-132,19,22E, 9-12
H2 / t13-, 14 + / M0 / S1
Senotlolo sa Inchi
ScxxArdqpgzaju-uonogxrcsa-n
Mabitso a mang a 3 bakeng sa ntho ena
Asidbonidboxycaxyric acidbous, 4-hydroxy-2- (hydroxyMethyl -, 9h-fliothyl Ester, 9H-phoeren-9-ylmethyl (2s, 4r) -4-hydroxy-2- (hydroxy-2- (hydroxyMethl) -1-pyrrolinexxxxex-1. (3r, 5s) -n-fmoc-3-hydroxyplayine-5-methanal

Lipapatso tse boletsoeng esale pele

Thepa e fumanehang

Sa tlhaho

Lik'hemik'hale

Letsoalo

LIPINSSKI

Sebopeho se amanang le

Armal

Sa tlhaho

Thepa	Boleng	Boemo	Mohloli
Linkho tsa BioCentration	49.6	ph 1; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	ph 2; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	ph 3; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	PH 4; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	ph 5; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	PH 6; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	PH 7; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	PH 8; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	ph 9; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	49.6	ph 10; TEMP: 25 ° C	(1) ACD

Lik'hemik'hale

Thepa	Boleng	Boemo	Mohloli
Koc	569	ph 1; TEMP: 25 ° C	(1) ACD
Koc	569	ph 2; TEMP: 25 ° C	(1) ACD
Koc	569	ph 3; TEMP: 25 ° C	(1) ACD
Koc	569	PH 4; TEMP: 25 ° C	(1) ACD
Koc	569	ph 5; TEMP: 25 ° C	(1) ACD
Koc	569	PH 6; TEMP: 25 ° C	(1) ACD
Koc	569	PH 7; TEMP: 25 ° C	(1) ACD
Koc	569	PH 8; TEMP: 25 ° C	(1) ACD
Koc	569	ph 9; TEMP: 25 ° C	(1) ACD
Koc	569	ph 10; TEMP: 25 ° C	(1) ACD

Thepa	Boleng	Boemo	Mohloli
logd	2.53	ph 1; TEMP: 25 ° C	(1) ACD
logd	2.53	ph 2; TEMP: 25 ° C	(1) ACD
logd	2.53	ph 3; TEMP: 25 ° C	(1) ACD
logd	2.53	PH 4; TEMP: 25 ° C	(1) ACD
logd	2.53	ph 5; TEMP: 25 ° C	(1) ACD
logd	2.53	PH 6; TEMP: 25 ° C	(1) ACD
logd	2.53	PH 7; TEMP: 25 ° C	(1) ACD
logd	2.53	PH 8; TEMP: 25 ° C	(1) ACD
logd	2.53	ph 9; TEMP: 25 ° C	(1) ACD
logd	2.53	ph 10; TEMP: 25 ° C	(1) ACD
Logp	2.534 ± 0.636	TEMP: 25 ° C	(1) ACD
Mass Interrincic solubility	0.078 g / l	TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	ph 1; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	ph 2; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	ph 3; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	PH 4; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	ph 5; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	PH 6; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	PH 7; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	PH 8; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	ph 9; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	ph 10; TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.078 g / l	Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C	(1) ACD
Molala oa Molala oa Molala	2.3 x 10-4 mol / l	TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	ph 1; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	ph 2; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	ph 3; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	PH 4; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	ph 5; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	PH 6; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	PH 7; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	PH 8; TEMP: 25 ° C	(1) ACD

Thepa	Boleng	Boemo	Mohloli
Molala ea lla	2.3 x 10-4 mol / l	ph 9; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	ph 10; TEMP: 25 ° C	(1) ACD
Molala ea lla	2.3 x 10-4 mol / l	Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C	(1) ACD
Boima ba Molecular	339.39
pka	14.53 ± 0.40	Boholo ba tempele ea acidic: 25 ° C	(1) ACD
pka	-3.10 ± 0.60	Boholo ba mosebetsi oa mantlha: 25 ° C	(1) ACD
Khatello ea mouoane	6.35 x 10-13 Torr	TEMP: 25 ° C	(1) ACD

Letsoalo

Thepa	Boleng	Boemo	Mohloli
Letsoalo	1.318 ± 0.06 g / cm3	Temp: 20 ° C; Tobetsa: 760 Torr	(1) ACD
Molumo oa Molalar	257.3 ± 3.0 cm3 / mol	Temp: 20 ° C; Tobetsa: 760 Torr	(1) ACD

LIPINSSKI

Thepa	Boleng	Boemo	Mohloli
Li-litlama tse potolohileng ka bolokolohi	6		(1) ACD
H	5		(1) ACD
H donors	2		(1) ACD
H donor / Canot	7		(1) ACD
Logp	2.534 ± 0.636	TEMP: 25 ° C	(1) ACD
Boima ba Molecular	339.39

Sebopeho se amanang le

Thepa	Boleng	Boemo	Mohloli
Sebaka sa polar.	70.0 A2	(1) ACD

Armal

Thepa	Boleng	Boemo	Mohloli
Poleft Point	549.8 ± 40.0 ° C	Tobetsa: 760 Torr	(1) ACD
Entatpy ea vaporization	87.32 ± 3.0 KJ / Mol	Tobetsa: 760 Torr	(1) ACD
Flash point	286.3 ± 27.3 ° C		(1) ACD