C47H51FN7O7P adenosine, N-benzoyl-5 '-O- [BIS (4-meteiethyl N, N-BIS) (ACYLEHYL) Gambar (ACI) Gambar FOrphor

C47H51FN7O7P adenosine, N-benzoyl-5 '-O- [BIS (4-meteiethyl N, N-BIS) (1-Methylethyl) (ACI)

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Rincian bahan

Nomer Registri CAS

136834-22-5

Properties fisik Key	Regane	Kondisi
Bobot molekuler	875.92	-
Pka (diprediksi)	7.87 ± 0.43	Temp paling asam: 25 ° C

Jeneng lan Identifikasi Liyane

Mesem kanonik

N # cccop (oc1c (f) c (oc1coc (c = 2c = c4 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3 = c3

Mesem isomerat

C (OC [c @@@ h] 1 [c @_ h] (n (c) c) (n. @_ h] (n = c4) (cn3) (c5 = cn3) (c5 = cn3) (c5 = c5 = c5 = c4 = c5 = c5 = c5 = c5 (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = c6 = c- = cc = c7

INCI

Kopi = 1s / c47h51O7p / C1-31 (2) 55 (3-29) 62-229 (40-29-51-43 (41) 54) 53-45-51-43 (41) 54) 53-45-51-43 ) 33-14-9-10-15-33-15-15-33) 28-59-47 (34-16-11-8-12-17-37 (57-5) 23-19-3) 25-21-3) 25-21-36 / H7-12,14-25,29-32,4 2.46h, 13,27-28h2,1-6h3, (H, 50,51,53,56) / t39-, 40-, 42-, 46-, 63? / M1 / s1

Kunci inci

Vcmvpdslhfcbb-msirfhfksa-n

1 Jeneng liyane kanggo zat iki

Adenosine,N-Benzoyl-5 '-O- [bis (4-meteixyphenht) -2lmethyl] -2 '-dooxy-2' -fluoro-, 3 '- [2-Cyanoethyl BIS (1-Methylethyl) (9CI)

Properti sing diramalake

Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan

Biologis

Properti	Regane	Kondisi	Sumber
Faktor biokentrasi	6590	PH 1; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.76 x 105	PH 2; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.00 x 106	PH 3; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.00 x 106	pH 4; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.00 x 106	pH 5; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.00 x 106	pH 6; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.00 x 106	pH 7; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	1.00 x 106	PH 8; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	3.43 x 105	PH 9; Temp: 25 ° C	(1) ACD
Faktor biokentrasi	99100	PH 10; Temp: 25 ° C	(1) ACD

Kimia

Sumber kondhisi properti

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 820 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

Properti	Regane	Kondisi	Sumber
logd	8.71	PH 3; Temp: 25 ° C	(1) ACD
logd	9.20	pH 4; Temp: 25 ° C	(1) ACD
logd	9.30	pH 5; Temp: 25 ° C	(1) ACD
logd	9.30	pH 6; Temp: 25 ° C	(1) ACD
logd	9.22	pH 7; Temp: 25 ° C	(1) ACD
logd	8.79	PH 8; Temp: 25 ° C	(1) ACD
logd	8.00	PH 9; Temp: 25 ° C	(1) ACD
logd	7.46	PH 10; Temp: 25 ° C	(1) ACD
logp	9.317 ± 0,714	Temp: 25 ° C	(1) ACD
Kelarutan Kelainan Intrinsik Massa	3.4 x 10-6 g / l	Temp: 25 ° C	(1) ACD
Kelarutan massa	3.6 x 10-3 g / l	PH 1; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.3 x 10-4 g / l	PH 2; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.3 x 10-5 g / l	PH 3; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.3 x 10-6 g / l	pH 4; Temp: 25 ° C	(1) ACD
Kelarutan massa	3.4 x 10-6 g / l	pH 5; Temp: 25 ° C	(1) ACD
Kelarutan massa	3.4 x 10-6 g / l	pH 6; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.1 x 10-6 g / l	pH 7; Temp: 25 ° C	(1) ACD
Kelarutan massa	1.1 x 10-5 g / l	PH 8; Temp: 25 ° C	(1) ACD
Kelarutan massa	6,9 x 10-5 g / l	PH 9; Temp: 25 ° C	(1) ACD
Kelarutan massa	2,5 x 10-4 g / l	PH 10; Temp: 25 ° C	(1) ACD
Kelarutan massa	4.1 x 10-6 g / l	Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C	(1) ACD
Kelarutan Kelaresan Inttrinsik Molar	3.9 x 10-9 mol / l	Temp: 25 ° C	(1) ACD
Kelarutan molar	4.1 x 10-6 mol / l	PH 1; Temp: 25 ° C	(1) ACD
Kelarutan molar	1,5 x 10-7 mol / l	PH 2; Temp: 25 ° C	(1) ACD
Kelarutan molar	1,5 x 10-8 mol / l	PH 3; Temp: 25 ° C	(1) ACD
Kelarutan molar	4.9 x 10-9 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kelarutan molar	3.9 x 10-9 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Kelarutan molar	3.9 x 10-9 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kelarutan molar	4.7 x 10-9 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kelarutan molar	1.3 x 10-8 mol / l	PH 8; Temp: 25 ° C	(1) ACD
Kelarutan molar	7.9 x 10-8 mol / l	PH 9; Temp: 25 ° C	(1) ACD
Kelarutan molar	2.8 x 10-7 mol / l	PH 10; Temp: 25 ° C	(1) ACD

Properti	Regane	Kondisi	Sumber
Kelarutan molar	4.7 x 10-9 mol / l	Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C	(1) ACD
Bobot molekuler	875.92
PKA	7.87 ± 0.43	Temp paling asam: 25 ° C	(1) ACD
PKA	3.45 ± 070	Umume Temp: 25 ° C	(1) ACD

Lipinski

Properti	Regane	Kondisi	Sumber
Obligasi kanthi bebas	18		(1) ACD
H Nampa	14		(1) ACD
H donor	1		(1) ACD
H Donor / Sumrah Panampa	15		(1) ACD
logp	9.317 ± 0,714	Temp: 25 ° C	(1) ACD
Bobot molekuler	875.92