C21h21N36.6 Thymatine, α - [(1-Naphthletylomemyl) Amino.

C21h21n36.66. Thymidine, α - [1-Naphthletylmemylyl) Amino.

Basis Informatioun:

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Promrat Detail

Produktiounsnagéieren

Stoff Detail

Fas Registry Nummer

1262015-90-6

Schlëssel kierperlech Eegeschafte	Wäert	Bedingchmëttel
Molekular Gewiicht	411.41	-
Dicht (virausgesot)	1.460 ± 0,06 g / cm3	Trëpp: 20 ° C; Press: 760 Torr
pka (virausgesot)	8.23 ± 0,100	Meescht sauer Tempo: 25 ° C

Aner Nimm an Identifizéierer

Canonesch Laachen

O = c1nc (= o) n (c = c1c (= o) ncc2 = cc = cc = 3c = cc = cc32) C4C (C4C (O) C4

Isomeresch Laachen

O = c1n (c = c (c (ncc = 2c3 = c (c = cc2) c = cc = c3) = o) C1) [C1) [C1 (C @

Inchi

Inchi = 1s / C21h21N3o6 / C25-11-17-16) 8-18 (30-17) 24-10-15 (20) 2,8) 2,8) 19,7) 2 (27) 2,8-6--4-7-14 (12) 13) 13 / H1- 7.10,16-18,25-26h, 8-9111, (H 22.27) (H 23888) 18 +,2, 18 + / M0 / S1.

Inchi Schlëssel

Uudhosawihgtb-rccfbdprsa-n

3 aner Nimm fir dës Substanz

α - [(1-Naphethallylemyl) Amino] - α -oxhymidine (ACI); (Napdu); 87: PN: Wo2020081510 SEQID: 87 behaapt Sequenz

Eegeschafte verfügbar
Biologesch
Chemeschen
Dicht
Lipinski
Struktur verbonnen

Biologesch

Prowalange	Wäert	Bedingchmëttel	Quellatioun
BIKOCONSENTRATIOUN FIELD	3.23	pH 1; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	3.23	pH 2; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	3.23	pH 3; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	3.23	pH 4; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	3.23	pH 5; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	3.19	pH 6; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	2.85	pH 7; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.40	pH 8; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.0	pH 9; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.0	ph 10; Temp: 25 ° C	(1) ACD

Chemeschen

Eegeschafte Wäert Zoustand

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 711.1 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

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Aloggenlogt	0,977	pH 3; Temp: 25 ° C	(1) ACD
Aloggenlogt	0,977	pH 4; Temp: 25 ° C	(1) ACD
Aloggenlogt	0,977	pH 5; Temp: 25 ° C	(1) ACD
Aloggenlogt	0,977	pH 6; Temp: 25 ° C	(1) ACD
Aloggenlogt	0,922	pH 7; Temp: 25 ° C	(1) ACD
Aloggenlogt	0,61	pH 8; Temp: 25 ° C	(1) ACD
Aloggenlogt	-0.13	pH 9; Temp: 25 ° C	(1) ACD
Aloggenlogt	-0,79	ph 10; Temp: 25 ° C	(1) ACD
AloggenO Aloggen	0,973 ± 0,586	Temp: 25 ° C	(1) ACD
Mass intrinsesch Solubilitéit	5.3 x 10-3 g / l	Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.3 x 10-3 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.3 x 10-3 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.3 x 10-3 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.3 x 10-3 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.3 x 10-3 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.3 x 10-3 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.8 x 10-3 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massebelibilitéit	0,012 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massebelibilitéit	0,066 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massebelibilitéit	0,30 g / l	ph 10; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.3 x 10-3 g / l	UNBUFFERERT WATERH PH 637; Temp: 25 ° C	(1) ACD
Molar intrinsesch Solubilitéit	1.3 X 10-5 MOL / L	Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 X 10-5 MOL / L	pH 1; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 X 10-5 MOL / L	pH 2; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 X 10-5 MOL / L	pH 3; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 X 10-5 MOL / L	pH 4; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 X 10-5 MOL / L	pH 5; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 X 10-5 MOL / L	pH 6; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.4 X 10-5 MOL / L	pH 7; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	2.9 x 10-5 MOL / L	pH 8; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.6 X 10-4 Mol / l	pH 9; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	7.4 x 10-4 Mol / l	ph 10; Temp: 25 ° C	(1) ACD

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Molar sublabilitéit	1.3 X 10-5 MOL / L	UNBUFFERERT WATERH PH 637; Temp: 25 ° C	(1) ACD
Molekular Gewiicht	411.41
paka	8.23 ± 0,100	Meescht sauer Tempo: 25 ° C	(1) ACD
paka	-1,90 ± 0,20	Déi meescht Basis Tempo: 25 ° C	(1) ACD

Dicht

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Dicht	1.460 ± 0,06 g / cm3	Trëpp: 20 ° C; Press: 760 Torr	(1) ACD
Molar Volumen	281.6 ± 3,0 cm3 / mol	Trëpp: 20 ° C; Press: 760 Torr	(1) ACD

Lipinski

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Fräi rotativ Obligatiounen	7		(1) ACD
H Akzeptoren	9		(1) ACD
H Donateuren	4		(1) ACD
H Spender / Acceptor Zomm	13		(1) ACD
AloggenO Aloggen	0,973 ± 0,586	Temp: 25 ° C	(1) ACD
Molekular Gewiicht	411.41