C21H21N3O6 thymidine, α- [(1-naphthalenylmethyl) aimín]- α -oxo- (ACI)

Faisnéis bhunúsach:

Sonraí Táirgí

Clibeanna Táirgí

Mionsonraí substainte

Uimhir Chlárlann CAS

1262015-90-6

Príomh -airíonna fisiceacha	Luach	Coinníollacha a chur le
Meáchan móilíneach	411.41	-
Dlús (tuartha)	1.460 ± 0.06 g/cm3	TEMP: 20 ° C; Brúigh: 760 Torr
PKA (tuartha)	8.23 ± 0.10	An luas is aigéid: 25 ° C.

Ainmneacha agus aitheantóirí eile

Smiles Canónach

O = C1NC (= O) N (C = C1C (= O) NCC2 = CC = CC = 3C = CC = CC32) C4OC (CO) C (O) C4

Smiles isiméireach

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

Orlach

Inchi = 1S/C21H21N3O6/C25-11-17-16 (26) 8-18 (30-17) 24-10-15 (20 (28) 23-21 (24) 29) 19 (27) 22-9-13-6-3-5-12-4-1-2-14 (12) 13/H1- 7,10,16-18,25-26H, 8-9,11h2, (H, 22,27) (H, 23,28,29)/T16-, 17+, 18+/M0/S1

Eochair Inchi

Uudhoszawihgtb-rccfbdprsa-n

3 ainmneacha eile don tsubstaint seo

α -[(1 -naphthalenylmethyl) aimín] -α -oxothymidine (ACI); (Napdu); 87: PN: WO2020081510 Seqid: 87 Seicheamh Éilithe

Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Dlús
Lipinski
A bhaineann le struchtúr

Bitheolaíoch

Maoin	Luach	Coinníollacha a chur le	Aimsigh
Fachtóir bith -chomhchruinnithe	3.23	pH 1; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	3.23	pH 2; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	3.23	pH 3; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	3.23	pH 4; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	3.23	pH 5; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	3.19	pH 6; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	2.85	pH 7; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	1.40	pH 8; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	1.0	pH 9; TEMP: 25 ° C.	(1) ACD
Fachtóir bith -chomhchruinnithe	1.0	pH 10; TEMP: 25 ° C.	(1) ACD

Ceimiceán

Foinse Coinníoll Luach Maoine

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

Maoin	Luach	Coinníollacha a chur le	Aimsigh
logáil	0.97	pH 3; TEMP: 25 ° C.	(1) ACD
logáil	0.97	pH 4; TEMP: 25 ° C.	(1) ACD
logáil	0.97	pH 5; TEMP: 25 ° C.	(1) ACD
logáil	0.97	pH 6; TEMP: 25 ° C.	(1) ACD
logáil	0.92	pH 7; TEMP: 25 ° C.	(1) ACD
logáil	0.61	pH 8; TEMP: 25 ° C.	(1) ACD
logáil	-0.13	pH 9; TEMP: 25 ° C.	(1) ACD
logáil	-0.79	pH 10; TEMP: 25 ° C.	(1) ACD
logáil	0.973 ± 0.586	TEMP: 25 ° C.	(1) ACD
Aifreann Intreach intreach	5.3 x 10-3 g/l	TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.3 x 10-3 g/l	pH 1; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.3 x 10-3 g/l	pH 2; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.3 x 10-3 g/l	pH 3; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.3 x 10-3 g/l	pH 4; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.3 x 10-3 g/l	pH 5; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.3 x 10-3 g/l	pH 6; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.8 x 10-3 g/l	pH 7; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	0.012 g/L.	pH 8; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	0.066 g/L.	pH 9; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	0.30 g/L.	pH 10; TEMP: 25 ° C.	(1) ACD
Aifreann tuaslagthachta	5.3 x 10-3 g/l	Uisce neamh -mhaolaithe pH 6.37; TEMP: 25 ° C.	(1) ACD
Intuaslagthacht intreach molar	1.3 x 10-5 mol/l	TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.3 x 10-5 mol/l	pH 1; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.3 x 10-5 mol/l	pH 2; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.3 x 10-5 mol/l	pH 3; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.3 x 10-5 mol/l	pH 4; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.3 x 10-5 mol/l	pH 5; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.3 x 10-5 mol/l	pH 6; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.4 x 10-5 mol/l	pH 7; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	2.9 x 10-5 mol/l	pH 8; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	1.6 x 10-4 mol/l	pH 9; TEMP: 25 ° C.	(1) ACD
Tuaslagthacht molar	7.4 x 10-4 mol/l	pH 10; TEMP: 25 ° C.	(1) ACD

Maoin	Luach	Coinníollacha a chur le	Aimsigh
Tuaslagthacht molar	1.3 x 10-5 mol/l	Uisce neamh -mhaolaithe pH 6.37; TEMP: 25 ° C.	(1) ACD
Meáchan móilíneach	411.41
pka	8.23 ± 0.10	An luas is aigéid: 25 ° C.	(1) ACD
pka	-1.90 ± 0.20	An luas is bunúsaí: 25 ° C.	(1) ACD

Dlús

Maoin	Luach	Coinníollacha a chur le	Aimsigh
Dlús	1.460 ± 0.06 g/cm3	TEMP: 20 ° C; Brúigh: 760 Torr	(1) ACD
Toirt molar	281.6 ± 3.0 cm3/mol	TEMP: 20 ° C; Brúigh: 760 Torr	(1) ACD

Lipinski

Maoin	Luach	Coinníollacha a chur le	Aimsigh
Bannaí rotatable faoi shaoirse	7		(1) ACD
H Glacadóirí	9		(1) ACD
Hontóirí H.	4		(1) ACD
H suim deontóra/glacadóir	13		(1) ACD
logáil	0.973 ± 0.586	TEMP: 25 ° C.	(1) ACD
Meáchan móilíneach	411.41