C21H21N3O6 Thymidine, α - [((1-naphalenylmetham) amino] - α-coxo- (aci) featured image

C21H21N3O6 Thymidine, α - [((1-naphalenyLmethethyl) amino] - α-coxo- (aci)

Basisynformaasje:

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Produkt detail

Produkt tags

Substânsje detail

CAS Registry Number

1262015-90-6

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	411.41	-
Tichtheid (foarsizze)	1.460 ± 0,06 g / cm3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	8.23 ± 0.10	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes

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

Isomeryske glimkes

O = c1n (c = c (c (ncc = 2c3 = c (c = cc2) c = cv = c3) = 4O [C @ H) (CO) [C @@ H] (O) C4

Inchi

Inchi = 1s / c21h21N333 / c25-11-17-16 (26) 8-18 (30-17 (30-17 (30-20 (20 (28) 23-21 (24) 29) 29-9-13-4-1-2-5-12-4-1-2-5-12-4-1-2-6-14 (12) 13 / H1- 7,0,16-18,25-26,25 --26h, 8-9,11h2, (h, 22,27) (h, 23,28,29) / T16-, 17 +, 18 + / m0 / s1

Inchi-kaai

Uudhoszawihgtb-rccfbdprsa-n

3 oare nammen foar dizze substansje

α - [(1-Naftalenylmetham) Amino] - α -oxothymidine (aci); (Napdu); 87: PN: WO2020081510 Seqid: 87 beweare sekwinsje

Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre

Biologysk

Besit	Wearde	Betingst	Boarne
Bioconcentration Factor	3.23	pH 1; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	3.23	pH 2; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	3.23	pH 3; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	3.23	pH 4; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	3.23	pH 5; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	3.19	pH 6; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	2.85	pH 7; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.40	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 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

Besit	Wearde	Betingst	Boarne
Logd	0.97	pH 3; Temp: 25 ° C	(1) ACD
Logd	0.97	pH 4; Temp: 25 ° C	(1) ACD
Logd	0.97	pH 5; Temp: 25 ° C	(1) ACD
Logd	0.97	pH 6; Temp: 25 ° C	(1) ACD
Logd	0.92	pH 7; Temp: 25 ° C	(1) ACD
Logd	0.61	pH 8; Temp: 25 ° C	(1) ACD
Logd	-0.13	pH 9; Temp: 25 ° C	(1) ACD
Logd	-0.79	pH 10; Temp: 25 ° C	(1) ACD
Logp	0,973 ± 0.586	Temp: 25 ° C	(1) ACD
Massa intrinsike oplosmiddel	5.3 x 10-3 g / l	Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.3 x 10-3 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.3 x 10-3 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.3 x 10-3 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.3 x 10-3 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.3 x 10-3 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.3 x 10-3 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5,8 x 10-3 G / L	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.012 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,066 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.30 g / l	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.3 x 10-3 g / l	Unbuffered water Ph 67; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	1.3 x 10-5 mol / l	Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-5 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-5 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-5 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-5 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-5 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.3 x 10-5 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1,4 x 10-5 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2,9 x 10-5 mol / L	pH 8; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.6 x 10-4 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	7,4 x 10-4 mol / l	pH 10; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Milarlabiliteit	1.3 x 10-5 mol / l	Unbuffered water Ph 67; Temp: 25 ° C	(1) ACD
Molekulêr gewicht	411.41
pka	8.23 ± 0.10	Meast Acidic Temp: 25 ° C	(1) ACD
pka	-1,90 ± 0.20	Meast basic temp: 25 ° C	(1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1.460 ± 0,06 g / cm3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	281,6 ± 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	0,973 ± 0.586	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	411.41