C17H19N3O6 thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

944268-75-1

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	361.35	-
Dwysedd (a ragwelir)	1.459 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	8.27 ± 0.10	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd

O = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (co) c (o) c3

Gwenau isomerig

O = c1n ([c @@ h] 2o [c@h] (co) [c @@ h] (o) c2) c = c (c (ncc3 = cc = cc = c3) = o) c (= o) n1

Inchi

Inchi = 1S/C17H19N3O6/C21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16 (24) 19-17 (20) 25) 15 (23) 18-7-7-10-4-2-1-3-3-5-5-10/h1-5,1214,2121-22h, 6-22h, 6-22h, 6-2229 H2, (H, 18,23) (H, 19,24,25)/T12-, 13+, 14+/M0/S1

Allwedd inchi

Vbryagcuexfmkm-bhyxjousa-n

3 enw arall ar gyfer y sylwedd hwn

α -oxo -α -[(phenylmethyl) amino] thymidine (ACI); (Bndu); 7: PN: WO2020081510 SEQID: 7 Dilyniant Hawliedig

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	1.0	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.0	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

Ffynhonnell Cyflwr Gwerth Eiddo

Koc 18.3 pH 1; TEMP: 25 ° C (1) ACD

Koc 18.3 pH 2; TEMP: 25 ° C (1) ACD

Koc 18.3 pH 3; TEMP: 25 ° C (1) ACD

Koc 18.3 pH 4; TEMP: 25 ° C (1) ACD

Koc 18.3 pH 5; TEMP: 25 ° C (1) ACD

Koc 18.1 pH 6; TEMP: 25 ° C (1) ACD

Koc 16.4 pH 7; TEMP: 25 ° C (1) ACD

Koc 8.56 pH 8; TEMP: 25 ° C (1) ACD

KOC 1.62 pH 9; TEMP: 25 ° C (1) ACD

Koc 1.0 pH 10; TEMP: 25 ° C (1) ACD

log -0.21 pH 1; TEMP: 25 ° C (1) ACD

log -0.21 pH 2; TEMP: 25 ° C (1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
log	-0.21	Ph 3; TEMP: 25 ° C.	(1) ACD
log	-0.21	Ph 4; TEMP: 25 ° C.	(1) ACD
log	-0.21	Ph 5; TEMP: 25 ° C.	(1) ACD
log	-0.22	Ph 6; TEMP: 25 ° C.	(1) ACD
log	-0.26	Ph 7; TEMP: 25 ° C.	(1) ACD
log	-0.54	Ph 8; TEMP: 25 ° C.	(1) ACD
log	-1.26	Ph 9; TEMP: 25 ° C.	(1) ACD
log	-1.95	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	-0.212 ± 0.585	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	0.13 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.13 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.13 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.13 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.13 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.13 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.14 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.15 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.29 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	1.5 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	7.2 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.14 g/l	Dŵr heb ei drin pH 5.68; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	3.7 x 10-4 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.7 x 10-4 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.7 x 10-4 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.7 x 10-4 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.7 x 10-4 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.7 x 10-4 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	3.8 x 10-4 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.2 x 10-4 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	8.0 x 10-4 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	4.2 x 10-3 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	0.020 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	3.8 x 10-4 mol/l	Dŵr heb ei drin pH 5.68; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	361.35
PKA	8.27 ± 0.10	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	-1.66 ± 0.20	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.459 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	247.5 ± 3.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	7		(1) ACD
H Derbynyddion	9		(1) ACD
H rhoddwyr	4		(1) ACD
H rhoddwr/derbynnydd swm	13		(1) ACD
logio	-0.212 ± 0.585	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	361.35