C42h39n3o8 henteu ditugaskeun gambar anu ditunjuk

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Pasipatan fisik

Sipat fisik konci	Nilai	Kaayaan
Beurat molekular	713.78	-
Kapadetan (diprediksi)	1.315 ± 0,06 g / cm3	Temp: 20 ° C; Pencét: 760 Torr
Pair (diprediksi)	8.23 ± 0,10	TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Kanonicales imut o = c1nc (= o) n (c = c1c (= o) ncc2 = cc = cc = cp = c7) c. cc = cp = c4) CC = c4
Imutterik
C (OC [C @ H] 1o [C @ H] (C [C @@ H] NC3) CC = c7
Atchi
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51-2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35 (40 (48) 44-41 (45) 49) 39 (47) 43-3-8-7-14.9-12-34,97,4310, 43,47) (H, 44,48,49) / T36-, 37 +, 38 + / M0 / S1
Konci inci
Hdumrqyjobffs-yxwaycfasa-n

Diulalkeun sipat

Sipat sayogi

Biologis

Sipat sayogi

Kimia

Perténaran

Lipinski

Struktur patali

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	41700	pH 1; Temp: 25 ° C	(1) ACD
Faktor bioconcation	41700	pH 2; Temp: 25 ° C	(1) ACD
Faktor bioconcation	41700	pH 3; Temp: 25 ° C	(1) ACD
Faktor bioconcation	41700	pH 4; Temp: 25 ° C	(1) ACD
Faktor bioconcation	41700	pH 5; Temp: 25 ° C	(1) ACD
Faktor bioconcation	41200	pH 6; Temp: 25 ° C	(1) ACD
Faktor bioconcation	36900	pH 7; Temp: 25 ° C	(1) ACD
Faktor bioconcation	18100	pH 8; Temp: 25 ° C	(1) ACD
Faktor bioconcation	3290	pH 9; Temp: 25 ° C	(1) ACD
Faktor bioconcation	718	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	70600	pH 1; Temp: 25 ° C	(1) ACD
Kub	70600	pH 2; Temp: 25 ° C	(1) ACD
Kub	70600	pH 3; Temp: 25 ° C	(1) ACD
Kub	70600	pH 4; Temp: 25 ° C	(1) ACD
Kub	70500	pH 5; Temp: 25 ° C	(1) ACD
Kub	69700	pH 6; Temp: 25 ° C	(1) ACD
Kub	62400	pH 7; Temp: 25 ° C	(1) ACD
Kub	30600	pH 8; Temp: 25 ° C	(1) ACD
Kub	5560	pH 9; Temp: 25 ° C	(1) ACD
Kub	1210	pH 10; Temp: 25 ° C	(1) ACD
log As	6,38	pH 1; Temp: 25 ° C	(1) ACD
log As	6,38	pH 2; Temp: 25 ° C	(1) ACD
log As	6,38	pH 3; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
log As	6,38	pH 4; Temp: 25 ° C	(1) ACD
log As	6,38	pH 5; Temp: 25 ° C	(1) ACD
log As	6,38	pH 6; Temp: 25 ° C	(1) ACD
log As	6,33	pH 7; Temp: 25 ° C	(1) ACD
log As	6.02	pH 8; Temp: 25 ° C	(1) ACD
log As	5.28	pH 9; Temp: 25 ° C	(1) ACD
log As	4.62	pH 10; Temp: 25 ° C	(1) ACD
logp	6.382 ± 0.644	Temp: 25 ° C	(1) ACD
Kebar intrinsik massic	5.1 x 10-7 g / l	Temp: 25 ° C	(1) ACD
Sahubat massa	5.1 x 10-7 g / l	pH 1; Temp: 25 ° C	(1) ACD
Sahubat massa	5.1 x 10-7 g / l	pH 2; Temp: 25 ° C	(1) ACD
Sahubat massa	5.1 x 10-7 g / l	pH 3; Temp: 25 ° C	(1) ACD
Sahubat massa	5.1 x 10-7 g / l	pH 4; Temp: 25 ° C	(1) ACD
Sahubat massa	5.1 x 10-7 g / l	pH 5; Temp: 25 ° C	(1) ACD
Sahubat massa	5.1 x 10-7 g / l	pH 6; Temp: 25 ° C	(1) ACD
Sahubat massa	5.7 X 10-7 g / l	pH 7; Temp: 25 ° C	(1) ACD
Sahubat massa	1.1 x 10-6 g / l	pH 8; Temp: 25 ° C	(1) ACD
Sahubat massa	6,4 x 10-6 g / l	pH 9; Temp: 25 ° C	(1) ACD
Sahubat massa	2.9 x 10-5 g / l	pH 10; Temp: 25 ° C	(1) ACD
Sahubat massa	5.7 X 10-7 g / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Kebar intrinsik molar	7.1 x 10-10 mol / l	Temp: 25 ° C	(1) ACD
Kahirupan molar	7.1 x 10-10 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.1 x 10-10 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.1 x 10-10 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.1 x 10-10 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.1 x 10-10 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.2 x 10-10 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kahirupan molar	8.0 x 10-10 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kahirupan molar	1.6 x 10-9 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Kahirupan molar	9.0 x 10-9 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Kahirupan molar	4.1 x 10-8 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Kahirupan molar	8.0 x 10-10 mol / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Beurat molekular	713.78
Pka	8.23 ± 0,10	TEMP anu paling asam: 25 ° C	(1) ACD
Pka	-1.90 ± 0,20	Paling dasar 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	1.315 ± 0,06 g / cm3	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD
Masar	542.7 ± 3.0 cm3 / mol	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD

Lipinski

Harta	Nilai	Kaayaan	Sumber
Beungkeut bébas rotét	13		(1) ACD
H panarima	11		(1) ACD
H donor	3		(1) ACD
H donor / panarima	14		(1) ACD
logp	6.382 ± 0.644	Temp: 25 ° C	(1) ACD
Beurat molekular	713.78