C17H19n3o6 Thymidine, α-coxo- α - [(Phenylmethyl) Amino] - (ACI) featured ôfbylding

C17H19n3o6 Thymidine, α-coxo- α - [(fenylmethyl) amino] - (aci)

Basisynformaasje:

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Produkt detail

Produkt tags

Substânsje detail

CAS Registry Number

944268-75-1

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	361.35	-
Tichtheid (foarsizze)	1.459 ± 0,06 G / CM3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	8.27 ± 0.10	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes

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

Isomeryske glimkes

O = c1n ([c @@ h] 2o [c @ h] (co) [c @@) (O) c2) c = c (c (c (ccc = cc = cv = c3) = c3) = CC = cc = c3) =

Inchi

Inchi = 1s / c17h19n3o6 / c21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16 (24) 19-17 (20) 15) 15-2-10-10 / H1-3-5-10 / H1-3,8,12-14,21-22H, 6-7,9 H2, (H, 18,23) (H, 19,24,25) / T12-, 13 +, 14 + / M0 / S1

Inchi-kaai

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3 oare nammen foar dizze substansje

α -oxo-α - [(fenylmethyl) amino] thymidine (aci); (Bndu); 7: PN: WO2020081510 Seqid: 7 bewearden sekwinsje

Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre

Biologysk

Besit	Wearde	Betingst	Boarne
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

Gemysk

Eigendomwearde Boarne

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

Besit	Wearde	Betingst	Boarne
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
Massa intrinsike oplosmiddel	0.13 g / l	Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.13 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.13 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.13 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.13 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.13 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.14 G / L	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.15 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,29 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1,5 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	7,2 g / l	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.14 G / L	Unbuffered wetter Ph 5.68; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	3,7 x 10-4 mol / l	Temp: 25 ° C	(1) ACD
Milarlabiliteit	3,7 x 10-4 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	3,7 x 10-4 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	3,7 x 10-4 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	3,7 x 10-4 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	3,7 x 10-4 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Milarlabiliteit	3,8 x 10-4 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Milarlabiliteit	4.2 x 10-4 Mol / L	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	8.0 x 10-4 Mol / L	pH 8; Temp: 25 ° C	(1) ACD
Milarlabiliteit	4.2 x 10-3 Mol / L	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0,020 mol / l	pH 10; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Milarlabiliteit	3,8 x 10-4 mol / l	Unbuffered wetter Ph 5.68; Temp: 25 ° C	(1) ACD
Molekulêr gewicht	361.35
pka	8.27 ± 0.10	Meast Acidic Temp: 25 ° C	(1) ACD
pka	-1.66 ± 0.20	Meast basic temp: 25 ° C	(1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1.459 ± 0,06 G / CM3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	247.5 ± 3.0 cm3 / mol	Temp: 20 ° C; Parse: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	7		(1) ACD
H akseptearders	9		(1) ACD
H Donors	4		(1) ACD
H Donor / akseptearje SUM	13		(1) ACD
Logp	-0.212 ± 0.585	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	361.35