C.8h49no7 1- Asam pironodikoine, 2- [[BIS (4-Methoxypyyl)-Hycoxy-q) wra-qual

C.8h49no7 1- Asih pirimodoineit, 2- [[BIS (4-Methoxyphenyl)-Mytoxy-λéfo- (4ri) - 4R) - 4r)

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Pasipatan fisik

Sipat fisik konci	Nilai	Kaayaan
Beurat molekular	631.80	-
Titik ngagolak (diprediksi)	779.4 ± 60.0 ° C	Pencét: 760 Torr
Kapadetan (diprediksi)	1.154 ± 0,06 g / cm3	Temp: 20 ° C; Pencét: 760 Torr
Pair (diprediksi)	4.78 ± 0,10	TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Kanonical imut o = c (O) cccccccccCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCK (= O) N1cC (O) CC1coc (C = CCT = CC = CC = CC = CC = CC = CC = CC = CC = CC = CBI
Isomeric SMILES C(OC[C@H]1N(C(CCCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4
Atchi
Inchi = 1s / c38h49no7 / C1-44-34-22-18-30 (19-23-34) 38-14-14-14-38,3-38,3-38,-3-32 (150) 28-38 (32-35 (38-38,3-38,7-35 (45-35 (38-38,3-35 (45-35 (38-35-3 (45-35 (38-35-30 (48-38 (38-35 (45-35 (38-35-3 (45-38,300 36 (41) 16-12-7-5-3-6-8-13-13-37 (42) 43 / H9-11,42-U1), 332-, 33 + / M0 12,43-, 33.22-, 33 + / M0 + / M012.12-, 33 + / M012-, 33 + / M0 + / M0 + / M0 12.43-, 33 + / M0 + / M0 12.43-, 33 + / M012-
Konci inci
Citytmdx.
1 ngaran sanés pikeun zat ieu
(2s, 4R) -2 - [[bis (4--methoxyphensil) Phenyilmmonoxy] -4 -4-or, -4 -4 -4-or, -4 -4 -4)-orany) -4 -,0-or, -4 -4-orzoxyfes

Diulalkeun sipat

Sipat sayogi

Biologis

Kimia

Perténaran

Lipinski

Struktur patali

Theresalia

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	2.46 x 105	pH 1; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2.46 x 105	pH 2; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2.42 x 105	pH 3; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2.11 x 105	pH 4; Temp: 25 ° C	(1) ACD
Faktor bioconcation	92400	pH 5; Temp: 25 ° C	(1) ACD
Faktor bioconcation	14000	pH 6; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1510	pH 7; Temp: 25 ° C	(1) ACD
Faktor bioconcation	192	pH 8; Temp: 25 ° C	(1) ACD
Faktor bioconcation	58.6	pH 9; Temp: 25 ° C	(1) ACD
Faktor bioconcation	45,3	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	2.52 x 105	pH 1; Temp: 25 ° C	(1) ACD
Kub	2.51 x 105	pH 2; Temp: 25 ° C	(1) ACD
Kub	2.47 x 105	pH 3; Temp: 25 ° C	(1) ACD
Kub	2.16 x 105	pH 4; Temp: 25 ° C	(1) ACD
Kub	94500	pH 5; Temp: 25 ° C	(1) ACD
Kub	14300	pH 6; Temp: 25 ° C	(1) ACD
Kub	1550	pH 7; Temp: 25 ° C	(1) ACD
Kub	196	pH 8; Temp: 25 ° C	(1) ACD
Kub	59.9	pH 9; Temp: 25 ° C	(1) ACD
Kub	46.3	pH 10; Temp: 25 ° C	(1) ACD
log As	7.40	pH 1; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
log As	7.40	pH 2; Temp: 25 ° C	(1) ACD
log As	7.39	pH 3; Temp: 25 ° C	(1) ACD
log As	7.33	pH 4; Temp: 25 ° C	(1) ACD
log As	6,97	pH 5; Temp: 25 ° C	(1) ACD
log As	6.15	pH 6; Temp: 25 ° C	(1) ACD
log As	5.19	pH 7; Temp: 25 ° C	(1) ACD
log As	4.29	pH 8; Temp: 25 ° C	(1) ACD
log As	3.77	pH 9; Temp: 25 ° C	(1) ACD
log As	3.66	pH 10; Temp: 25 ° C	(1) ACD
logp	7.397 ± 0.598	Temp: 25 ° C	(1) ACD
Kebar intrinsik massic	1,3 x 10-4 g / l	Temp: 25 ° C	(1) ACD
Sahubat massa	1,3 x 10-4 g / l	pH 1; Temp: 25 ° C	(1) ACD
Sahubat massa	1,3 x 10-4 g / l	pH 2; Temp: 25 ° C	(1) ACD
Sahubat massa	1,3 x 10-4 g / l	pH 3; Temp: 25 ° C	(1) ACD
Sahubat massa	1,5 x 10-4 g / l	pH 4; Temp: 25 ° C	(1) ACD
Sahubat massa	3,5 x 10-4 g / l	pH 5; Temp: 25 ° C	(1) ACD
Sahubat massa	2.3 x 10-3 g / l	pH 6; Temp: 25 ° C	(1) ACD
Sahubat massa	0,021 g / l	pH 7; Temp: 25 ° C	(1) ACD
Sahubat massa	0.17 g / l	pH 8; Temp: 25 ° C	(1) ACD
Sahubat massa	0,55 g / l	pH 9; Temp: 25 ° C	(1) ACD
Sahubat massa	0.69 g / l	pH 10; Temp: 25 ° C	(1) ACD
Sahubat massa	1,3 x 10-3 g / l	Cai pH.73; Temp: 25 ° C	(1) ACD
Kebar intrinsik molar	2.1 x 10-7 mol / l	Temp: 25 ° C	(1) ACD
Kahirupan molar	2.1 x 10-7 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.1 x 10-7 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.1 x 10-7 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.4 x 10-7 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kahirupan molar	5.5 x 10-7 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Kahirupan molar	3.6 x 10-6 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kahirupan molar	3.4 x 10-5 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.7 x 10-4 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Kahirupan molar	8.7 x 10-4 mol / l	pH 9; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Kahirupan molar	1,1 x 10-3 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.1 x 10-6 mol / l	Cai pH.73; Temp: 25 ° C	(1) ACD
Beurat molekular	631.80
Pka	4.78 ± 0,10	TEMP anu paling asam: 25 ° C	(1) ACD
Pka	-2.31 ± 0,60	Paling dasar temp: 25 ° C	(1) ACD
Tekenan uap	1,42 x 10-25 torr	Temp: 25 ° C	(1) ACD

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

Perténaran

Harta	Nilai	Kaayaan	Sumber
Perténaran	1.154 ± 0,06 g / cm3	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD
Masar	547.3 ± 3.0 cm3 / mol	Temp: 20 ° C; Pencét: 760 Torr	(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	20		(1) ACD
H panarima	8		(1) ACD
H donor	2		(1) ACD
H donor / panarima	10		(1) ACD
logp	7.397 ± 0.598	Temp: 25 ° C	(1) ACD
Beurat molekular	631.80

Struktur patali

Harta	Nilai	Kaayaan	Sumber
Daérah permukaan polar	106 A2	(1) ACD

Theresalia

Harta	Nilai	Kaayaan	Sumber
Titik anu ngagolak	779.4 ± 60.0 ° C	Pencét: 760 Torr	(1) ACD
Enthalpy tina vaporisasi	118.97 ± 3.0 kj / mol	Pencét: 760 Torr	(1) ACD
Titik kaingetan	425.2 ± 32.9 ° C		(1) ACD