C50H58N7O9P Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) Phenylmethyl] -2 ′-O- (2-methoxyethyl)-, 3 ′-[2-cyanoethyl nosphyled (Acmethyle (Acmethyle 1-MEPSPHYLED

C50H58N7O9P Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-o- (2-methoxyethyl)-, 3 ′-[2-cyanoethyl n, nosphoMid (Acmethyle 1-bis

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

251647-53-7

H302

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	932.01	-
PKA (a ragwelir)	7.87 ± 0.43	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd

N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OCCOC) COC (C = 5C = CC = CC = CC5) (C6 = c)

Gwenau isomerig

C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C (C) C) C (C) C) OCCC#N) [C @@ H] (OCCOC) [C @@ H] (O1) N2C = 3C (n = C2) = C (C (NC (= O) C4 = CC = CN3) (n = CN3) (nC = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

Inchi

InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41 (6-22-39) 65-49 (45 (44) 62-30-29-59-5) 56-33-54-43-46 (52-32-53-47 (43) 56/h 32-35,42,44-45,49H, 14,28-31H2,1-7H3, (H, 52,53,55,58)/T42-, 44-, 45-, 49-, 67?/M1/S1

Allwedd inchi

VPByBQBHlyrlHG-HDMawCrfSA-N

16 ENW arall ar gyfer y sylwedd hwn

Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-methoxyethyl)-, 3 ′-[2-cyanoethyl bis (1-methylethyl)

phosphoramidite] (9ci); 16: PN: US20030211606 Tudalen: 19 dilyniant honedig; 16: PN: US20030212017 Tudalen: 20 dilyniant honedig; 17: PN: US20040005569 Tudalen: 22 Dilyniant honedig; 19: PN: US20040006030 Tudalen: 23 Dilyniant honedig; 19: PN: US20040014047

Tudalen: 21 Dilyniant honedig; 19: PN: US20040014049 Tudalen: 21 Dilyniant honedig; 20: PN: US20040005570 Tudalen: 20 Hawliedig

dilyniant; 20: PN: US20040014048 Tudalen: 21 Dilyniant honedig; 20: PN: US20040014050 Tudalen: 20 dilyniant honedig; 21: PN: U.

S20040005565 Tudalen: 17-22 Dilyniant honedig; 21: PN: US20040014051 Tudalen: 23 dilyniant honedig; 22: PN: US20040014699 Tudalen: 20 dilyniant honedig; 23: PN: US20040006029 Tudalen: 23 dilyniant honedig; 23: PN: WO03106645 Tudalen: 73 Dilyniant Hawliedig; 94: P N: US20040005707 Tudalen: 20 Dilyniant Hawliedig

Sbectra arbrofol

Sbectra ar gael
1 h nmr
13 C NMR
Hetero nmr

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	2680	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	71500	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	7.21 x 105	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	8.48 x 105	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.39 x 105	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	40300	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	1360	Ph 1; TEMP: 25 ° C.	(1) ACD
Koc	36300	Ph 2; TEMP: 25 ° C.	(1) ACD
Koc	3.66 x 105	Ph 3; TEMP: 25 ° C.	(1) ACD
Koc	1.13 x 106	Ph 4; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Koc	1.42 x 106	Ph 5; TEMP: 25 ° C.	(1) ACD
Koc	1.42 x 106	Ph 6; TEMP: 25 ° C.	(1) ACD
Koc	1.17 x 106	Ph 7; TEMP: 25 ° C.	(1) ACD
Koc	4.30 x 105	Ph 8; TEMP: 25 ° C.	(1) ACD
Koc	70800	Ph 9; TEMP: 25 ° C.	(1) ACD
Koc	20500	Ph 10; TEMP: 25 ° C.	(1) ACD
log	5.77	Ph 1; TEMP: 25 ° C.	(1) ACD
log	7.20	Ph 2; TEMP: 25 ° C.	(1) ACD
log	8.20	Ph 3; TEMP: 25 ° C.	(1) ACD
log	8.69	Ph 4; TEMP: 25 ° C.	(1) ACD
log	8.79	Ph 5; TEMP: 25 ° C.	(1) ACD
log	8.79	Ph 6; TEMP: 25 ° C.	(1) ACD
log	8.71	Ph 7; TEMP: 25 ° C.	(1) ACD
log	8.27	Ph 8; TEMP: 25 ° C.	(1) ACD
log	7.49	Ph 9; TEMP: 25 ° C.	(1) ACD
log	6.95	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	8.803 ± 0.766	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	5.4 x 10-5 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.051 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.9 x 10-3 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.9 x 10-4 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	6.0 x 10-5 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.8 x 10-5 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	4.8 x 10-5 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-5 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.6 x 10-4 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	9.3 x 10-4 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	3.6 x 10-3 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.7 x 10-5 g/l	Dŵr heb ei drin pH 6.97; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	5.8 x 10-8 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.5 x 10-5 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.0 x 10-6 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	2.0 x 10-7 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.4 x 10-8 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.1 x 10-8 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	5.1 x 10-8 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.2 x 10-8 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.7 x 10-7 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.0 x 10-6 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.9 x 10-6 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	6.1 x 10-8 mol/l	Dŵr heb ei drin pH 6.97; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	932.01
PKA	7.87 ± 0.43	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	3.45 ± 0.70	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	22		(1) ACD
H Derbynyddion	16		(1) ACD
H rhoddwyr	1		(1) ACD
H rhoddwr/derbynnydd swm	17		(1) ACD
logio	8.803 ± 0.766	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	932.01