C48h54n7o8p Aden, N-Benzoyl-5 '-MethylMolthyyl] -2' - Amifite

C48h54n7o8p Aden, N-Benzoyl-5 '-Methylethy) -2 - O-Methylhl)

Tlhahisoleseling ea mantlha:

Lintlha tsa sehlahisoa

Li-tag tsa lihlahisoa

Lintlha tsa ntho

Nomoro ea ho re ngolisa

1107822-31-5

H335, h331, h319, h315, H311, H311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311 + h311, H311

Thepa ea bohlokoa ea 'mele	Boleng	Boemo
Boima ba Molecular	887.96	-
pka (e boletsoeng esale pele)	7.87 ± 0.43	Boholo ba tempele ea acidic: 25 ° C

Mabitso a mang le khethollo

Cannonical smiles

N # cccop (OC1C (OC (N2c = NC = NC3 (= NC3) c

Isomerica e bososela

C (OC [OC 0 C @@ h] 1 [C @@ h] (op (C C (OC) C = C5) (C6 = CC = CC = C1) C = C6) C7 = CC = cc

Inchi

Inchi = 1S / c48h54n7o8p / C1-32 (2) 55 (41 (43) 54) 53-46 (43-46 (43-46 (53) 53-46 (43-46 (53) 53-46 6) 34-15-10-10-16-34) 29-60-48-38-38,8-18,30-33,30-33) 2-43 47H, 14,28-29H2,1-7h3, (H, 50,51,56,56,56,56,56,56,56,56,56,56, 42-, 44? / M1 / S1

Senotlolo sa Inchi

AZCGTUYEPYExhmj-Psvyzmazmasa-n

Mabitso a mang a 2 bakeng sa ntho ena

Edenesinene,N-Benzoyl-5 '-O- [Bis (4-Meydoxl) PhenylMEthyl] -2 '-O-Mothyl-, 3 '- Cyanooethyl bis (1-methylethyl) phosphoramite] (9ci 5 '-O- (4,4 '-dimethoxytharrl) -n6-benzoyl-2' -O-Methyladenosine 3 '- (2-cyanothlN,N-Diisopropsylphoramite)

Tekanyetso ea pono ea liteko

Spectra e fumanehang
13 c nmr
Hetero nmr
Mass

Lipapatso tse boletsoeng esale pele

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

Sa tlhaho

Thepa	Boleng	Boemo	Mohloli
Linkho tsa BioCentration	4050	ph 1; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.08 x 105	ph 2; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.00 x 106	ph 3; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.00 x 106	PH 4; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.00 x 106	ph 5; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.00 x 106	PH 6; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.00 x 106	PH 7; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	1.00 x 106	PH 8; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	2.10 x 105	ph 9; TEMP: 25 ° C	(1) ACD
Linkho tsa BioCentration	60800	ph 10; TEMP: 25 ° C	(1) ACD

Lik'hemik'hale

Thepa	Boleng	Boemo	Mohloli
Koc	1830	ph 1; TEMP: 25 ° C	(1) ACD
Koc	48700	ph 2; TEMP: 25 ° C	(1) ACD
Koc	4.91 x 105	ph 3; TEMP: 25 ° C	(1) ACD
Koc	1.52 x 106	PH 4; TEMP: 25 ° C	(1) ACD
Koc	1.90 x 106	ph 5; TEMP: 25 ° C	(1) ACD
Koc	1.91 x 106	PH 6; TEMP: 25 ° C	(1) ACD
Koc	1.57 x 106	PH 7; TEMP: 25 ° C	(1) ACD

Thepa	Boleng	Boemo	Mohloli
Koc	5.78 x 105	PH 8; TEMP: 25 ° C	(1) ACD
Koc	95000	ph 9; TEMP: 25 ° C	(1) ACD
Koc	27500	ph 10; TEMP: 25 ° C	(1) ACD
logd	6.01	ph 1; TEMP: 25 ° C	(1) ACD
logd	7.43	ph 2; TEMP: 25 ° C	(1) ACD
logd	8.44	ph 3; TEMP: 25 ° C	(1) ACD
logd	8.93	PH 4; TEMP: 25 ° C	(1) ACD
logd	9.02	ph 5; TEMP: 25 ° C	(1) ACD
logd	9.02	PH 6; TEMP: 25 ° C	(1) ACD
logd	8.94	PH 7; TEMP: 25 ° C	(1) ACD
logd	8.51	PH 8; TEMP: 25 ° C	(1) ACD
logd	7.72	ph 9; TEMP: 25 ° C	(1) ACD
logd	7.18	ph 10; TEMP: 25 ° C	(1) ACD
Logp	9.038 ± 0.723	TEMP: 25 ° C	(1) ACD
Mass Interrincic solubility	1.4 x 10-5 g / l	TEMP: 25 ° C	(1) ACD
Mass Slisedity	0.014 g / l	ph 1; TEMP: 25 ° C	(1) ACD
Mass Slisedity	5.3 x 10-4 g / l	ph 2; TEMP: 25 ° C	(1) ACD
Mass Slisedity	5.3 x 10-5 g / l	ph 3; TEMP: 25 ° C	(1) ACD
Mass Slisedity	1.7 x 10-5 g / l	PH 4; TEMP: 25 ° C	(1) ACD
Mass Slisedity	1.3 x 10-5 g / l	ph 5; TEMP: 25 ° C	(1) ACD
Mass Slisedity	1.3 x 10-5 g / l	PH 6; TEMP: 25 ° C	(1) ACD
Mass Slisedity	1.7 x 10-5 g / l	PH 7; TEMP: 25 ° C	(1) ACD
Mass Slisedity	4.5 x 10-5 g / l	PH 8; TEMP: 25 ° C	(1) ACD
Mass Slisedity	2.8 x 10-4 g / l	ph 9; TEMP: 25 ° C	(1) ACD
Mass Slisedity	9.8 x 10-4 g / l	ph 10; TEMP: 25 ° C	(1) ACD
Mass Slisedity	1.7 x 10-5 g / l	PH ea metsi e sa sebetsoang. TEMP: 25 ° C	(1) ACD
Molala oa Molala oa Molala	1.6 x 10-8 MOL / L	TEMP: 25 ° C	(1) ACD
Molala ea lla	1.6 x 10-5 mol / L	ph 1; TEMP: 25 ° C	(1) ACD
Molala ea lla	6.0 x 10-7 Mol / L	ph 2; TEMP: 25 ° C	(1) ACD
Molala ea lla	6.0 x 10-8 MOL / L	ph 3; TEMP: 25 ° C	(1) ACD
Molala ea lla	1.9 x 10-8 MOL / L	PH 4; TEMP: 25 ° C	(1) ACD
Molala ea lla	1.5 x 10-8 MOL / L	ph 5; TEMP: 25 ° C	(1) ACD

Thepa	Boleng	Boemo	Mohloli
Molala ea lla	1.5 x 10-8 MOL / L	PH 6; TEMP: 25 ° C	(1) ACD
Molala ea lla	1.9 x 10-8 MOL / L	PH 7; TEMP: 25 ° C	(1) ACD
Molala ea lla	5.1 x 10-8 MOL / L	PH 8; TEMP: 25 ° C	(1) ACD
Molala ea lla	3.1 x 10-7 Mol / L	ph 9; TEMP: 25 ° C	(1) ACD
Molala ea lla	1.1 x 10-6 mol / L	ph 10; TEMP: 25 ° C	(1) ACD
Molala ea lla	1.9 x 10-8 MOL / L	PH ea metsi e sa sebetsoang. TEMP: 25 ° C	(1) ACD
Boima ba Molecular	887.96
pka	7.87 ± 0.43	Boholo ba tempele ea acidic: 25 ° C	(1) ACD
pka	3.45 ± 0.70	Boholo ba mosebetsi oa mantlha: 25 ° C	(1) ACD

LIPINSSKI

Thepa	Boleng	Boemo	Mohloli
Li-litlama tse potolohileng ka bolokolohi	19		(1) ACD
H	15		(1) ACD
H donors	1		(1) ACD
H donor / Canot	16		(1) ACD
Logp	9.038 ± 0.723	TEMP: 25 ° C	(1) ACD
Boima ba Molecular	887.96

Sebopeho se amanang le

Thepa	Boleng	Mohloli oa Boemo
Sebaka sa polar.	178 A2	(1) ACD

SIRCTRA e boletsoeng esale pele

Spectra e fumanehang
1 h nmr
13 c nmr

Lipolelo tsa GHS Harpeur

Khoutu	Polelo ea kotsi	Mohloli
H335	E ka baka ho teneha ha phefumoloho	Setsebi se ile sa khoptjoa

Khoutu	Polelo ea kotsi	Mohloli
H331	Ho chefo haeba o akheha	Setsebi se ile sa khoptjoa
H319	E baka ho teneha ka thata	Setsebi se ile sa khoptjoa
H315	E baka ho teneha ha letlalo	Setsebi se ile sa khoptjoa
H311	Chefo kahare le letlalo	Setsebi se ile sa khoptjoa
H301 + H311 + h311 + h311	Chefo haeba e koetsoe, e kopana le letlalo kapa ea ho itiha	Setsebi se ile sa khoptjoa
H301	Chefo haeba e koetsoe	Setsebi se ile sa khoptjoa