C20H23N5O6 Adenosine, N-Benzoyl-2'-O- (2-Methoxyethyl)-(9CI, ACI)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrwyf
Pwysau moleciwlaidd	429.43	-
Dwysedd (a ragwelir)	1.53 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	13.15 ± 0.70	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwên Canonaidd O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC) C = 4C = CC = CC4
Gwên isomerig O (CCOC) [C@H] 1 [C @@ H] (O [C@H] (CO) [C@H] 1O) N2C = 3C (N = C2) = C (NC (= O) C4 = CC = CC = CC = C4) n = CN3
Inchi
Inchi = 1s/c20h23n5o6/c1-29-7-8-30-16-15 (27) 13 (9-26) 31-20 (16) 25-11-23-14-17 (21-10-22-18 (14) 25) 24-19 (28) 12-5-5-3-2-4-6-12/h2-6,1 0-11,13,15-16,20,26-27H, 7-9h2,1h3, (h, 21,22,24,28)/t13-, 15-, 16-, 20-/m1/s1
Allwedd inchi
Rufjmcsvnngzfb-khtyjdqrsa-n
2 enw arall ar gyfer y sylwedd hwn
N-benzoyl-2'-o- (2-methoxyethyl) adenosine (ACI); Adenosine N6-Benzoyl-2'-O- (2-Methoxyethyl)

Sbectra arbrofol

Sbectra ar gael
1h nmr
13c nmr

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrwyf	Ffynhonnell
Ffactor Bio -ganolbwynt	3.71	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	14.6	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	20.9	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	21.8	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	21.9	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	21.8	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	21.4	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	17.6	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	6.52	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.08	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrwyf	Ffynhonnell
Koc	53.2	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	210	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	299	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	312	Ph 4; TEMP: 25 ° C.	(1) ACD
Koc	314	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	313	Ph 6; TEMP: 25 ° C.	(1) ACD
Koc	306	Ph 7; TEMP: 25 ° C.	(1) ACD
Koc	253	Ph 8; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrwyf	Ffynhonnell
Koc	93.5	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	15.5	Ph 10; TEMP: 25 ° C.	(1) ACD
log	1.30	Ph 1; TEMP: 25 ° C.	(1) ACD
log	1.90	Ph 2; TEMP: 25 ° C.	(1) ACD
log	2.05	Ph 3; TEMP: 25 ° C.	(1) ACD
log	2.07	Ph 4; TEMP: 25 ° C.	(1) ACD
log	2.07	Ph 5; TEMP: 25 ° C.	(1) ACD
log	2.07	Ph 6; TEMP: 25 ° C.	(1) ACD
log	2.06	Ph 7; TEMP: 25 ° C.	(1) ACD
log	1.98	Ph 8; TEMP: 25 ° C.	(1) ACD
log	1.54	Ph 9; TEMP: 25 ° C.	(1) ACD
log	0.76	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	2.085 ± 0.689	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	0.030 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.17 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.0429 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.030 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.029 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.029 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.029 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.029 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.036 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.094 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.60 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.029 g/l	Dŵr heb ei drin pH 6.38; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	7.0 x 10-5 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.9 x 10-4 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.00 x 10-4 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.0 x 10-5 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.7 x 10-5 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.7 x 10-5 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.7 x 10-5 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrwyf	Ffynhonnell
Hydoddedd molar	6.8 x 10-5 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	8.3 x 10-5 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.2 x 10-4 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.4 x 10-3 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.7 x 10-5 mol/l	Dŵr heb ei drin pH 6.38; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	429.43
PKA	13.15 ± 0.70	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	8.80 ± 0.10	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrwyf	Ffynhonnell
Ddwysedd	1.53 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	280.3 ± 7.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrwyf	Ffynhonnell
Bondiau rotatable yn rhydd	9		(1) ACD
H Derbynyddion	11		(1) ACD
H rhoddwyr	3		(1) ACD
H rhoddwr/derbynnydd swm	14		(1) ACD
logio	2.085 ± 0.689	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	429.43