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

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Detalye ng produkto

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Detalye ng sangkap

Numero ng rehistro ng CAS

944268-75-1

Mga pangunahing katangian ng pisikal	Halaga	Kundisyon
Molekular na timbang	361.35	-
Density (hinulaang)	1.459 ± 0.06 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr
pka (hinulaang)	8.27 ± 0.10	Karamihan sa acidic temp: 25 ° C.

Iba pang mga pangalan at pagkakakilanlan

Canonical smiles

O = C1NC (= O) N (C = C1C (= O) NCC = 2C = CC = CC2) C3OC (CO) C (O) C3

Ngumiti si Isomeric

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) 18-7-10-4-2-1-3-5-10/H1-5,8,12-14,21-22H, 6-7,9 H2, (H, 18,23) (H, 19,24,25)/T12-, 13+, 14+/M0/S1

Inchi key

Vbryagcuexfmkm-bfhyxjousa-n

3 iba pang mga pangalan para sa sangkap na ito

α -oxo -α -[(phenylmethyl) amino] thymidine (ACI); (Bndu); 7: PN: WO2020081510 SEQID: 7 Inaangkin na pagkakasunud -sunod

Magagamit ang mga pag -aari
Biological
Kemikal
Density
Lipinski
May kaugnayan sa istraktura

Biological

Ari -arian	Halaga	Kundisyon	Pinagmulan
Bioconcentration factor	1.0	pH 1; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 2; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 3; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 4; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 5; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 6; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 7; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 8; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 9; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 10; Temp: 25 ° C.	(1) ACD

Kemikal

Pinagmulan ng Halaga ng Kondisyon ng Pag -aari

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

logd -0.21 pH 1; Temp: 25 ° C (1) ACD

logd -0.21 pH 2; Temp: 25 ° C (1) ACD

Ari -arian	Halaga	Kundisyon	Pinagmulan
logd	-0.21	Ph 3; Temp: 25 ° C.	(1) ACD
logd	-0.21	Ph 4; Temp: 25 ° C.	(1) ACD
logd	-0.21	Ph 5; Temp: 25 ° C.	(1) ACD
logd	-0.22	Ph 6; Temp: 25 ° C.	(1) ACD
logd	-0.26	Ph 7; Temp: 25 ° C.	(1) ACD
logd	-0.54	Ph 8; Temp: 25 ° C.	(1) ACD
logd	-1.26	Ph 9; Temp: 25 ° C.	(1) ACD
logd	-1.95	Ph 10; Temp: 25 ° C.	(1) ACD
Logp	-0.212 ± 0.585	Temp: 25 ° C.	(1) ACD
Mass intrinsic solubility	0.13 g/l	Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.13 g/l	pH 1; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.13 g/l	Ph 2; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.13 g/l	Ph 3; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.13 g/l	Ph 4; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.13 g/l	Ph 5; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.14 g/l	Ph 6; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.15 g/l	Ph 7; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.29 g/l	Ph 8; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	1.5 g/l	Ph 9; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	7.2 g/l	Ph 10; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.14 g/l	Hindi nabubuong tubig pH 5.68; Temp: 25 ° C.	(1) ACD
Molar intrinsic solubility	3.7 x 10-4 mol/l	Temp: 25 ° C.	(1) ACD
Molar solubility	3.7 x 10-4 mol/l	pH 1; Temp: 25 ° C.	(1) ACD
Molar solubility	3.7 x 10-4 mol/l	Ph 2; Temp: 25 ° C.	(1) ACD
Molar solubility	3.7 x 10-4 mol/l	Ph 3; Temp: 25 ° C.	(1) ACD
Molar solubility	3.7 x 10-4 mol/l	Ph 4; Temp: 25 ° C.	(1) ACD
Molar solubility	3.7 x 10-4 mol/l	Ph 5; Temp: 25 ° C.	(1) ACD
Molar solubility	3.8 x 10-4 mol/l	Ph 6; Temp: 25 ° C.	(1) ACD
Molar solubility	4.2 x 10-4 mol/l	Ph 7; Temp: 25 ° C.	(1) ACD
Molar solubility	8.0 x 10-4 mol/l	Ph 8; Temp: 25 ° C.	(1) ACD
Molar solubility	4.2 x 10-3 mol/l	Ph 9; Temp: 25 ° C.	(1) ACD
Molar solubility	0.020 mol/l	Ph 10; Temp: 25 ° C.	(1) ACD

Ari -arian	Halaga	Kundisyon	Pinagmulan
Molar solubility	3.8 x 10-4 mol/l	Hindi nabubuong tubig pH 5.68; Temp: 25 ° C.	(1) ACD
Molekular na timbang	361.35
PKA	8.27 ± 0.10	Karamihan sa acidic temp: 25 ° C.	(1) ACD
PKA	-1.66 ± 0.20	Karamihan sa mga pangunahing temp: 25 ° C.	(1) ACD

Density

Ari -arian	Halaga	Kundisyon	Pinagmulan
Density	1.459 ± 0.06 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD
Dami ng molar	247.5 ± 3.0 cm3/mol	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD

Lipinski

Ari -arian	Halaga	Kundisyon	Pinagmulan
Malayang rotatable bond	7		(1) ACD
H Mga Tanggap	9		(1) ACD
H donor	4		(1) ACD
H Donor/Acceptor Sum	13		(1) ACD
Logp	-0.212 ± 0.585	Temp: 25 ° C.	(1) ACD
Molekular na timbang	361.35