C39H37N5O7 Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- o-methyl- (9ci, aci)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	687.74	-
Dwysedd (a ragwelir)	1.32 ± 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

Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC)C=7C=CC=CC7
Gwenau isomerig
C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C = 3C (n = C2) = C (nc (= O) C4 = CC = CC = CC = C4) n = CN3) (C5 = CC) = C = C (C6) (C5) (C5) (C5) (C5) (C5) (C5) (C C7 = CC = CC = C7
Inchi
Inchi = 1s/c39h37n5o7/c1-47-29-18-14-27 (15-19-29) 39 (26-12-8-5-9-13-26,28-16-20-30 (48-2) 21-17-28) 50-22-31-33 (45) 31 (45) 31 (49) 3 31) 44-24-42-32-35 (40-23-41-36 (32) 44) 43-37 (46) 25-10-6-4-4-7-11-25/H4-21,23-24,31,31,31,33-34,34,38,45h, 32,43-,43, 40-,43, 40H11, 40-,43,
34-, 38-/m1/s1
Allwedd inchi
SarhdaqoznKZccc-cjegosrcsa-n
1 enw arall ar y sylwedd hwn
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyladenosine (ACI)

Sbectra arbrofol

Sbectra ar gael
1h nmr
13c nmr
Torfol

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	47800	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.63 x 105	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.16 x 105	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.23 x 105	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.23 x 105	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.18 x 105	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.79 x 105	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	64900	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	10600	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	3110	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
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

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
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
log	6.67	Ph 1; TEMP: 25 ° C.	(1) ACD
log	7.21	Ph 2; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 3; TEMP: 25 ° C.	(1) ACD
log	7.34	Ph 4; TEMP: 25 ° C.	(1) ACD
log	7.34	Ph 5; TEMP: 25 ° C.	(1) ACD
log	7.33	Ph 6; TEMP: 25 ° C.	(1) ACD
log	7.25	Ph 7; TEMP: 25 ° C.	(1) ACD
log	6.80	Ph 8; TEMP: 25 ° C.	(1) ACD
log	6.02	Ph 9; TEMP: 25 ° C.	(1) ACD
log	5.49	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	7.344 ± 0.723	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	2.7 x 10-6 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.2 x 10-5 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.7 x 10-6 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.8 x 10-6 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.8 x 10-6 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.8 x 10-6 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.8 x 10-6 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.4 x 10-6 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	9.6 x 10-6 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.7 x 10-5 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.9 x 10-4 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.4 x 10-6 g/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	3.9 x 10-9 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.8 x 10-8 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.4 x 10-9 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.1 x 10-9 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.0 x 10-9 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.0 x 10-9 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	4.0 x 10-9 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.9 x 10-9 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.4 x 10-8 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	8.3 x 10-8 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.8 x 10-7 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.9 x 10-9 mol/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	687.74
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	1.32 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	518.5 ± 7.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	12		(1) ACD
H Derbynyddion	12		(1) ACD
H rhoddwyr	2		(1) ACD
H rhoddwr/derbynnydd swm	14		(1) ACD
logio	7.344 ± 0.723	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	687.74