C44H49N5O7SI Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- o-[(1,1-dimethylethyl) dimethylsilyl]-(9ci, aci)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	787.98	-
Dwysedd (a ragwelir)	1.23 ± 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

Gwenau canonaidd
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) c3o [si) (c) (c) (c) (c) (c) (c)
Gwenau isomerig
C (OC [C@H] 1O [C@H] ([C@H] (O [SI] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C = 3C (N = C2) = C (C (N C (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = CC = C7
Inchi
Inchi = 1S/C44H49N5O7SI/C1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-47-36-39 (45-27-41-11-111) 21) 49 (36) 49 (36) 49 (36) 4 9) 26-54-44 (30-16-12-9-13-17-30,31-18-22-33 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32/H8-25,27-28,35,38,38,5h, 26H2,5h, 26H2, 26H2, 26H
45,46,48,51)/t35-, 37-, 38-, 42-/m1/s1
Allwedd inchi
Dazigopasnjpcj-gnecsjiwsa-n
2 enw arall ar gyfer y sylwedd hwn
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI); N6-benzoyl-5'-o- (4,4'- dimethoxytrityl) -2'-o- (tert-butyldimethylsilyl) adenosine

Sbectra arbrofol

Sbectra ar gael
1h nmr
Hetero nmr

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.00 x 106	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	5.41 x 105	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	2.01 x 106	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	6.87 x 106	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	9.08 x 106	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	9.38 x 106	Ph 4; TEMP: 25 ° C.	(1) ACD
Koc	9.39 x 106	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	9.19 x 106	Ph 6; TEMP: 25 ° C.	(1) ACD
Koc	7.53 x 106	Ph 7; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	2.73 x 106	Ph 8; TEMP: 25 ° C.	(1) ACD
Koc	4.48 x 105	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	1.31 x 105	Ph 10; TEMP: 25 ° C.	(1) ACD
log	9.62	Ph 1; TEMP: 25 ° C.	(1) ACD
log	10.15	Ph 2; TEMP: 25 ° C.	(1) ACD
log	10.27	Ph 3; TEMP: 25 ° C.	(1) ACD
log	10.29	Ph 4; TEMP: 25 ° C.	(1) ACD
log	10.29	Ph 5; TEMP: 25 ° C.	(1) ACD
log	10.28	Ph 6; TEMP: 25 ° C.	(1) ACD
log	10.19	Ph 7; TEMP: 25 ° C.	(1) ACD
log	9.75	Ph 8; TEMP: 25 ° C.	(1) ACD
log	8.97	Ph 9; TEMP: 25 ° C.	(1) ACD
log	8.43	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	10.291 ± 0.708	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	1.1 x 10-6 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.8 x 10-6 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.4 x 10-6 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.1 x 10-6 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.0 x 10-6 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.0 x 10-6 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.0 x 10-6 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.3 x 10-6 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.5 x 10-6 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	2.2 x 10-5 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	7.6 x 10-5 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.3 x 10-6 g/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	1.4 x 10-9 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.1 x 10-9 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.8 x 10-9 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.4 x 10-9 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-9 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-9 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	1.3 x 10-9 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.6 x 10-9 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.5 x 10-9 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.8 x 10-8 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	9.6 x 10-8 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.6 x 10-9 mol/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	787.98
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	1.23 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	639.5 ± 7.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	14		(1) ACD
H Derbynyddion	12		(1) ACD
H rhoddwyr	2		(1) ACD
H rhoddwr/derbynnydd swm	14		(1) ACD
logio	10.291 ± 0.708	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	787.98