C21H21N3O6 thymidine, α- [(1-naphthalenylmethyl) amino]- α -oxo- (aci)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

1262015-90-6

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	411.41	-
Dwysedd (a ragwelir)	1.460 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	8.23 ± 0.10	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd

O = c1nc (= o) n (c = c1c (= o) ncc2 = cc = cc = 3c = cc = cc32) c4oc (co) c (o) c4

Gwenau isomerig

O = c1n (c = c (c (ncc = 2c3 = c (c = cc2) c = cc = c3) = o) c (= o) n1) [c @@ h] 4o [c@h] (co) [c @@ h] (o) c4

Inchi

Inchi = 1S/C21H21N3O6/C25-11-17-16 (26) 8-18 (30-17) 24-10-15 (20 (28) 23-21 (24) 29) 19 (27) 22-9-13-6-6-3-3-5-12-4-1-1-2-7-14 (12) 13/H1------- 7,10,16-18,25-26H, 8-9,11H2, (H, 22,27) (H, 23,28,29)/T16-, 17+, 18+/m0/S1

Allwedd inchi

Uudhoszawihgtb-rccfbdprsa-n

3 enw arall ar gyfer y sylwedd hwn

α -[(1 -naphthalenylmethyl) amino] -α -oxothymidine (ACI); (Napdu); 87: PN: WO2020081510 SEQID: 87 Dilyniant Hawliedig

Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	3.23	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	3.23	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	3.23	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	3.23	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	3.23	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	3.19	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	2.85	Ph 7; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1.40	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 80.5 pH 1; TEMP: 25 ° C (1) ACD

Koc 80.5 pH 2; TEMP: 25 ° C (1) ACD

Koc 80.5 pH 3; TEMP: 25 ° C (1) ACD

Koc 80.5 pH 4; TEMP: 25 ° C (1) ACD

Koc 80.4 pH 5; TEMP: 25 ° C (1) ACD

Koc 79.5 pH 6; TEMP: 25 ° C (1) ACD

Koc 71.1 pH 7; TEMP: 25 ° C (1) ACD

Koc 34.9 pH 8; TEMP: 25 ° C (1) ACD

KOC 6.35 pH 9; TEMP: 25 ° C (1) ACD

KOC 1.39 pH 10; TEMP: 25 ° C (1) ACD

logd 0.97 pH 1; TEMP: 25 ° C (1) ACD

logd 0.97 pH 2; TEMP: 25 ° C (1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
log	0.97	Ph 3; TEMP: 25 ° C.	(1) ACD
log	0.97	Ph 4; TEMP: 25 ° C.	(1) ACD
log	0.97	Ph 5; TEMP: 25 ° C.	(1) ACD
log	0.97	Ph 6; TEMP: 25 ° C.	(1) ACD
log	0.92	Ph 7; TEMP: 25 ° C.	(1) ACD
log	0.61	Ph 8; TEMP: 25 ° C.	(1) ACD
log	-0.13	Ph 9; TEMP: 25 ° C.	(1) ACD
log	-0.79	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	0.973 ± 0.586	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	5.3 x 10-3 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.3 x 10-3 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.3 x 10-3 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.3 x 10-3 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.3 x 10-3 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.3 x 10-3 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.3 x 10-3 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-3 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.012 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.066 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	0.30 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.3 x 10-3 g/l	Dŵr heb ei drin pH 6.37; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	1.3 x 10-5 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-5 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-5 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-5 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-5 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-5 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.3 x 10-5 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.4 x 10-5 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	2.9 x 10-5 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.6 x 10-4 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	7.4 x 10-4 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd molar	1.3 x 10-5 mol/l	Dŵr heb ei drin pH 6.37; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	411.41
PKA	8.23 ± 0.10	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	-1.90 ± 0.20	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.460 ± 0.06 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	281.6 ± 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	0.973 ± 0.586	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	411.41