C17H17N5O5 Adenosine, N-Benzoyl- (7CI, 9CI, ACI) H333, H303, H302

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	371.35	-
Toddi (arbrofol)	152 ° C.	-
Dwysedd (a ragwelir)	1.70 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	7.87 ± 0.43	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwên Canonaidd O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CO) C (O) C3O) C = 4C = CC = CC4
Gwenau isomerig o [c@h] 1 [c@h] (n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) o [c@h] (co) [c@h] 1o
Inchi
Inchi = 1S/C17H17N5O5/C23-6-10-12 (24) 13 (25) 17 (27-10) 22-8-20-11-14 (18-7-19-15 (11) 22) 21-16 (26) 9-4-2-1-1-3-3-5-9/h1-5,7-13,17 ,10,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,10,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17 ,17, 23-25H, 6H2, (H, 18,19,21,26)/T10-, 12-, 13-, 17-/M1/S1
Allwedd inchi
Nzdwtkfdauooda-cnemsgbdsa-n
3 enw arall ar gyfer y sylwedd hwn
Benzamide, N- (9-β-D-ribofuranosyl-9H-purin-6-il)-(8CI); N-Benzoladenosine (ACI); N6-Benzoladenosine

Eiddo arbrofol

Eiddo ar gael

Thermol

Thermol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Pwynt toddi	152 ° C.	(1) IC

(1) Gopalakrishnan, Vidhya; Trafodion - Academi Gwyddorau Indiaidd, Gwyddorau Cemegol, (1989), 101 (5), 401-13, Caplus

Sbectra arbrofol

Sbectra ar gael
1h nmr
13c nmr
Hetero nmr
IR

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	1.0	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.83	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.56	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.67	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.68	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.65	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.37	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.16	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	12.6	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	48.2	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	67.3	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	70.1	Ph 4; TEMP: 25 ° C.	(1) ACD
Koc	70.3	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	69.5	Ph 6; TEMP: 25 ° C.	(1) ACD
Koc	62.2	Ph 7; TEMP: 25 ° C.	(1) ACD
Koc	30.5	Ph 8; TEMP: 25 ° C.	(1) ACD
Koc	5.54	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	1.22	Ph 10; TEMP: 25 ° C.	(1) ACD
log	0.12	Ph 1; TEMP: 25 ° C.	(1) ACD
log	0.70	Ph 2; TEMP: 25 ° C.	(1) ACD
log	0.85	Ph 3; TEMP: 25 ° C.	(1) ACD
log	0.86	Ph 4; TEMP: 25 ° C.	(1) ACD
log	0.87	Ph 5; TEMP: 25 ° C.	(1) ACD
log	0.86	Ph 6; TEMP: 25 ° C.	(1) ACD
log	0.81	Ph 7; TEMP: 25 ° C.	(1) ACD
log	0.50	Ph 8; TEMP: 25 ° C.	(1) ACD
log	-0.24	Ph 9; TEMP: 25 ° C.	(1) ACD
log	-0.89	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	0.868 ± 0.577	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	0.037 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.22 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.056 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.041 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.041 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.037 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.041 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.045 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.089 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.48 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.2 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd torfol	0.041 g/l	Dŵr heb ei drin pH 5.93; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	1.0 x 10-4 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.8 x 10-4 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.5 x 10-4 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-4 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-4 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.0 x 10-4 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-4 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.2 x 10-4 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.4 x 10-4 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-3 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.0 x 10-3 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-4 mol/l	Dŵr heb ei drin pH 5.93; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	371.35
PKA	7.87 ± 0.43	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	1.39 ± 0.10	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.70 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	217.3 ± 7.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	6		(1) ACD
H Derbynyddion	10		(1) ACD
H rhoddwyr	4		(1) ACD
H rhoddwr/derbynnydd swm	14		(1) ACD
logio	0.868 ± 0.577	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	371.35

Strwythur yn gysylltiedig

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Arwynebedd pegynol	143 A2	(1) ACD

Sbectra a ragwelir

Sbectra ar gael
1h nmr
13c nmr

Datganiadau Perygl GHS

Codiff	Datganiad Peryglon	Ffynhonnell
H333	Gall fod yn niweidiol os caiff ei anadlu	Wedi'i guradu arbenigol
H303	Gall fod yn niweidiol os caiff ei lyncu	Wedi'i guradu arbenigol
H302	Niweidiol os caiff ei lyncu	Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Rhestr Dosbarthu a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol

Gwybodaeth Reoleiddio

Rhestr Reoleiddio: Cyrraedd, TCSI

Gwybodaeth Fusnes Gyfrinachol: Cyhoeddus

Cyfystyron rheoleiddio
Adenosine, n-benzoyl-	Cyrraedd, tcsi	-
N- {9-[(2r, 3r, 4s, 5r) -3,4-dihydroxy-5- (hydroxymethyl) oxolan-2-il] -9h-purin-6-il} benzamide	Cyrhaeddem	-
N6-Benzoladenosine	Cyrhaeddem	-