C47H51FN7OP-ANONOSIIN, N-BENZOYL-5 '-O- [4-JOCTIVYLYL) Phhylmethyl) APTHHHORYL OSPLYLYL OBIGHROL NABIDLYLA5H5H5H51FRAFACOPOPE ANOYL-5' -O- [4-Methodyphylyl) Phenylomthyl] - Deosphoryl]

C47H51FN7OP ADNOONE, N-BENZOYL-5 '-O- [4-Methodyphylyl) Phenylmylyl] - Deosphoryl] - Deosphoryl

Basis Informatioun:

Schéckt E-Mail un eis

Promrat Detail

Produktiounsnagéieren

Stoff Detail

Fas Registry Nummer

136834-22-5

Schlëssel kierperlech Eegeschafte	Wäert	Bedingchmëttel
Molekular Gewiicht	875.92	-
pka (virausgesot)	7.87 ± 0,43	Meescht sauer Tempo: 25 ° C

Aner Nimm an Identifizéierer

Canonesch Laachen

N # CCCOP (OC1C (F) C (OC1CO (C = 7C = CC = CCA = CC7) N (c (c) c (cc = cc) c (oc) c (cc) c

Isomeresch Laachen

C (c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) (cc3 = cc = C) (C. (Oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = CC = CC = C7

Inchi

Inchi = 1S / C47H51P7P / C1-31 (2) 55) 53) 53-45-13) 52009) 52-45-39 (41-42-39) 56-42-39) 56-42) 56-42-32-39 ) 33-14--- 5-21-36 / H7-12-114-25,30.30.39-40939-35,4-35) 23-10-24-38 (53-14- 2,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40-,42-,46-,63?/m1/s1

Inchi Schlëssel

VCCMVPPSLHFCBBBY MSRFHFKSA-N

1 aneren Numm fir dës Substanz

ADNOONSINE,N-Benzoyl-5 '-O- [BIS (4-Methodyphonyl) Phenylthyl] -2 '--deoxy-2' -fluoro-, 3 '- [2-Megylothyl)

Virausgesot Eegeschafte

Eegeschafte verfügbar
Biologesch
Chemeschen
Lipinski
Struktur verbonnen

Biologesch

Prowalange	Wäert	Bedingchmëttel	Quellatioun
BIKOCONSENTRATIOUN FIELD	6590	pH 1; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.76 X 105	pH 2; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 3; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 4; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 5; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 6; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 7; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 8; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	3.43 x 105	pH 9; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	99100	ph 10; Temp: 25 ° C	(1) ACD

Chemeschen

Eegeschafte Wäert Zoustand

Koc 2590 PH 1; Temp: 25 ° C (1) ACD

Koc 69100 PH 2; Temp: 25 ° C (1) ACD

Koc 6.96 x 105 PH 3; Temp: 25 ° C (1) ACD

Koc 2.16 x 106 PH 4; Temp: 25 ° C (1) ACD

Koc 2.70 x 106 PH 5; Temp: 25 ° C (1) ACD

Koc 2.71 x 106 pH 6; Temp: 25 ° C (1) ACD

Koc 2.23 x 106 PH 7; Temp: 25 ° C (1) ACD

Koc 8.20 x 105 PH 8; Temp: 25 ° C (1) ACD

Koc 1.35 x 105 PH 9; Temp: 25 ° C (1) ACD

Koc 39000 ph 10; Temp: 25 ° C (1) ACD

logd 6,29 ph 1; Temp: 25 ° C (1) ACD

logd 7.71 pH 2; Temp: 25 ° C (1) ACD

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Aloggenlogt	8.71	pH 3; Temp: 25 ° C	(1) ACD
Aloggenlogt	9.20	pH 4; Temp: 25 ° C	(1) ACD
Aloggenlogt	9.30 Auer	pH 5; Temp: 25 ° C	(1) ACD
Aloggenlogt	9.30 Auer	pH 6; Temp: 25 ° C	(1) ACD
Aloggenlogt	9.22	pH 7; Temp: 25 ° C	(1) ACD
Aloggenlogt	8.79	pH 8; Temp: 25 ° C	(1) ACD
Aloggenlogt	8.00	pH 9; Temp: 25 ° C	(1) ACD
Aloggenlogt	7.46	ph 10; Temp: 25 ° C	(1) ACD
AloggenO Aloggen	9.317 ± 0.714	Temp: 25 ° C	(1) ACD
Mass intrinsesch Solubilitéit	3.4 x 10-6 g / l	Temp: 25 ° C	(1) ACD
Massebelibilitéit	3.6 x 10-3 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.3 x 10-4 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.3 x 10-5 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massebelibilitéit	4.3 x 10-6 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massebelibilitéit	3.4 x 10-6 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massebelibilitéit	3.4 x 10-6 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massebelibilitéit	4.1 x 10-6 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.1 x 10-5 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massebelibilitéit	6.9 x 10-5 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massebelibilitéit	2,5 x 10-4 g / l	ph 10; Temp: 25 ° C	(1) ACD
Massebelibilitéit	4.1 x 10-6 g / l	Ongebrach Waasser ph 7.00; Temp: 25 ° C	(1) ACD
Molar intrinsesch Solubilitéit	3.9 X 10-9 MOL / L	Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.1 x 10-6 MOL / L	pH 1; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1,5 x 10-7 MOL / L	pH 2; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1,5 x 10-8 MOL / L	pH 3; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.9 X 10-9 MOL / L	pH 4; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	3.9 X 10-9 MOL / L	pH 5; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	3.9 X 10-9 MOL / L	pH 6; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.7 x 10-9 MOL / L	pH 7; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 x 10-8 MOL / L	pH 8; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	7.9 X 10-8 MOL / L	pH 9; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	2.8 x 10-7 Mol / l	ph 10; Temp: 25 ° C	(1) ACD

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Molar sublabilitéit	4.7 x 10-9 MOL / L	Ongebrach Waasser ph 7.00; Temp: 25 ° C	(1) ACD
Molekular Gewiicht	875.92
paka	7.87 ± 0,43	Meescht sauer Tempo: 25 ° C	(1) ACD
paka	3.45 ± 0.70	Déi meescht Basis Tempo: 25 ° C	(1) ACD

Lipinski

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Fräi rotativ Obligatiounen	18		(1) ACD
H Akzeptoren	14		(1) ACD
H Donateuren	1		(1) ACD
H Spender / Acceptor Zomm	15		(1) ACD
AloggenO Aloggen	9.317 ± 0.714	Temp: 25 ° C	(1) ACD
Molekular Gewiicht	875.92