C50H58N7o9p, n-Bumpzoyl-5 '-o- [BIS (4-Metoxyphyl) -

C50H58N7o9p, n-Bumpzoyl-5 '-o- [BIS (4-Metroxyphyl) -

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Jéntré zat

CAT Nomer Pendaptaran

251647-53-7

H302

Sipat fisik konci	Nilai	Kaayaan
Beurat molekular	932.01	-
Pair (diprediksi)	7,87 ± 0,43	TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Imut

N # cccop (OC1C (OC (N2C = Nc = 3c (= NC = NC32) NC = CC4) CC = CC4) CC = CC4) CC = CC4) CC = CC

Imutterik

C (OC [C @@ H] 1 [C @@ (OP (n (c (c) c) c2) = Cc = c (OC) c = c5) (c6 = cc = c (oc) c = c up = cc = cc = cc = cc = cc = c7 = c7

Atchi

Inchi = 1s / C50H58N7o9p / C1-34 (2) 57 (35 (3) 4) 67 (67-18-145-18) 67-18-18) 24-18-38) 300-18) 36-198) 37-18-38) 300 9-21-25-41 (61-7) 26-22-32-39) 65-49 (45 (44) 62-30-59-5-125-120-43-49 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1/s1

Konci inci

Vpbybqblyrhlyrhlg-hdmawrfsa-n

16 ngaran sanés pikeun zat ieu

Adenosin,N-benzoyl-5 '-O- [BIS (4-methoxyphenyl) phenylmethletl) -O- (2-Metoxylethl) -, 3 '- [2-chooethl BIS (1-mét

fosfaidit] (9ci); 16: PN: US20030032221604 Halaman: 19 urutan anu ngaku; 16: PN: US200300300303020: 20 urutan ngaku; 17: PN: US20040005009659: 22 urutan anu ngaku; 19: PN: US200400060.3030: 23 urutan anu ngaku; 19: PN: US20040014047

Halaman: 21 anu ngaku; 19: PN: US200400400049 Halaman: 21 urutan ngaku; 20: PN: Halaman US2004000555550: 20 ngaku

urutan; 20: PN: US20040040048 Halaman: 21 urutan anu ngaku 20: PN: US20040040000202020: 20 urutan ngaku; 21: PN: U

S20099555555: 17- 22 urutan anu ngaku; 21: PN: US200400400400051 kaca: 23 urutan anu ngaku; 22: PN: US200400400699 Halaman: 20 urutan ngaku; 23: PN: US2004000606029 halaman: 23 urutan anu ngaku; 23: Pn: Wo03066645 Halaman: 73 urutan anu ngaku; 94: P n: halaman US2004000570907: 20 urutan anu ngaku

Spésér ékspérimén

Spéktra sayogi
1 h nmr
13 c nmr
Hetero nmr

Diulalkeun sipat

Sipat sayogi
Biologis
Kimia
Lipinski
Struktur patali

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	2680	pH 1; Temp: 25 ° C	(1) ACD
Faktor bioconcation	71500	pH 2; Temp: 25 ° C	(1) ACD
Faktor bioconcation	7.21 x 105	pH 3; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1,00 x 106	pH 4; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1,00 x 106	pH 5; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1,00 x 106	pH 6; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1,00 x 106	pH 7; Temp: 25 ° C	(1) ACD
Faktor bioconcation	8.48 x 105	pH 8; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1.39 x 105	pH 9; Temp: 25 ° C	(1) ACD
Faktor bioconcation	40300	pH 10; Temp: 25 ° C	(1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Kimia

Harta	Nilai	Kaayaan	Sumber
Kub	1360	pH 1; Temp: 25 ° C	(1) ACD
Kub	36300	pH 2; Temp: 25 ° C	(1) ACD
Kub	3.66 x 105	pH 3; Temp: 25 ° C	(1) ACD
Kub	1.13 x 106	pH 4; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Kub	1.42 x 106	pH 5; Temp: 25 ° C	(1) ACD
Kub	1.42 x 106	pH 6; Temp: 25 ° C	(1) ACD
Kub	1.17 x 106	pH 7; Temp: 25 ° C	(1) ACD
Kub	4.30 x 105	pH 8; Temp: 25 ° C	(1) ACD
Kub	70800	pH 9; Temp: 25 ° C	(1) ACD
Kub	20500	pH 10; Temp: 25 ° C	(1) ACD
log As	5.77	pH 1; Temp: 25 ° C	(1) ACD
log As	7.20	pH 2; Temp: 25 ° C	(1) ACD
log As	8.20	pH 3; Temp: 25 ° C	(1) ACD
log As	8.69	pH 4; Temp: 25 ° C	(1) ACD
log As	8.79	pH 5; Temp: 25 ° C	(1) ACD
log As	8.79	pH 6; Temp: 25 ° C	(1) ACD
log As	8.71	pH 7; Temp: 25 ° C	(1) ACD
log As	8.27	pH 8; Temp: 25 ° C	(1) ACD
log As	7.49	pH 9; Temp: 25 ° C	(1) ACD
log As	6,95	pH 10; Temp: 25 ° C	(1) ACD
logp	8.803 ± 0,766	Temp: 25 ° C	(1) ACD
Kebar intrinsik massic	5.4 x 10-5 g / l	Temp: 25 ° C	(1) ACD
Sahubat massa	0,051 g / l	pH 1; Temp: 25 ° C	(1) ACD
Sahubat massa	1,9 x 10-3 g / l	pH 2; Temp: 25 ° C	(1) ACD
Sahubat massa	1,9 x 10-4 g / l	pH 3; Temp: 25 ° C	(1) ACD
Sahubat massa	6.0 x 10 * G / l	pH 4; Temp: 25 ° C	(1) ACD
Sahubat massa	4.8 X 10-5 g / l	pH 5; Temp: 25 ° C	(1) ACD
Sahubat massa	4.8 X 10-5 g / l	pH 6; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-5 g / l	pH 7; Temp: 25 ° C	(1) ACD
Sahubat massa	1.6 x 10-4 g / l	pH 8; Temp: 25 ° C	(1) ACD
Sahubat massa	9.3 x 10-4 g / l	pH 9; Temp: 25 ° C	(1) ACD
Sahubat massa	3.6 x 10-3 g / l	pH 10; Temp: 25 ° C	(1) ACD
Sahubat massa	5.7 X 10-5 g / l	Cai pH 6,97; Temp: 25 ° C	(1) ACD
Kebar intrinsik molar	5.8 x 10-8 mol / l	Temp: 25 ° C	(1) ACD
Kahirupan molar	5.5 x 10-5 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.0 x 10-6 mol / l	pH 2; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Kahirupan molar	2.0 x 10-7 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Kahirupan molar	6,4 x 10-8 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kahirupan molar	5.1 x 10-8 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Kahirupan molar	5.1 x 10-8 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kahirupan molar	6,2 x 10-8 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,7 x 10-7 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Kahirupan molar	1.0 x 10-6 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Kahirupan molar	3.9 x 10-6 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Kahirupan molar	6,1 x 10-8 mol / l	Cai pH 6,97; Temp: 25 ° C	(1) ACD
Beurat molekular	932.01
Pka	7,87 ± 0,43	TEMP anu paling asam: 25 ° C	(1) ACD
Pka	3.45 ± 0,70	Paling dasar temp: 25 ° C	(1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Lipinski

Harta	Nilai	Kaayaan	Sumber
Beungkeut bébas rotét	22		(1) ACD
H panarima	16		(1) ACD
H donor	1		(1) ACD
H donor / panarima	17		(1) ACD
logp	8.803 ± 0,766	Temp: 25 ° C	(1) ACD
Beurat molekular	932.01