C30H28n2O7 6h-flk- 2 ', 3': 4,5] oxyazolo [3,1-a] - 4ri, Aci)

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Pasipatan fisik

Sipat fisik konci	Nilai	Kaayaan
Beurat molekular	528.55	-
Titik lebur (ékspérimén)	129.5-130 ° C	-
Titik ngagolak (diprediksi)	688.2 ± 65.0 ° C	Pencét: 760 Torr
Kapadetan (diprediksi)	1.35 ± 0,1 g / cm3	Temp: 20 ° C; Pencét: 760 Torr
Pair (diprediksi)	12.51 ± 0,40	TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Kanonical imut o = c1n = c2oc3c (o) c (OC3n2C = c1) c1) cc = ck = cp = cp = cp = c. Ck = c
Isomeerik isom c (OC [C @ H] 1o [c @@] 2 ([C @)
Atchi
Inchi = 1s / c30H28n2n2n2o7 / c1-32-12-8-20 (9-13-22) 30 (19-6-46-78 (37-180) 37-18 (37-18 (37-18 (37-180) 37-180) 37-180) 16-25 (33) 31-29 (32) 39-27 / H3-17,24,26-28,36-28,1h2,1-, 27-, 27-,
Konci inci
Oeirrwgaicdw-aogfthwsa-n
2 ngaran séjén pikeun zat ieu
(2r, 3R, 3:00, 9ar) -2 - [[BIS (4---métoxyptenyl) Metyilma-68.; 6H-Flso [2 ', 3': 4,5] oxazolo [3,2-a] pirimidin-6-hiji, [[1 -

TetahydroDrro-3-Hyroxy-, [2r- (2g, 3,5, 3A. 3A. 3a.

Sipat ékspérimén

Sipat sayogi

Theresalia

Theresalia

Harta	Nilai	Kaayaan	Sumber
Titik lebur	129.5-130 ° C	(1) CAS

(1) Szlenkier, mauryy; Nukléosid, nukléotida & asam nukléat, (2016), 35 (8), 410-425, clllus, complus

Spésér ékspérimén

Spéktra sayogi

1h nmr

13c nmr

Nimbulkeun massa

Diulalkeun sipat

Sipat sayogi

Biologis

Kimia

Perténaran

Lipinski

Struktur patali

Theresalia

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	1360	pH 1; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1360	pH 2; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1360	pH 3; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1360	pH 4; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1360	pH 5; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1360	pH 6; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1360	pH 7; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	1360	pH 8; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1360	pH 9; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1350	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	6080	pH 1; Temp: 25 ° C	(1) ACD
Kub	6080	pH 2; Temp: 25 ° C	(1) ACD
Kub	6080	pH 3; Temp: 25 ° C	(1) ACD
Kub	6080	pH 4; Temp: 25 ° C	(1) ACD
Kub	6080	pH 5; Temp: 25 ° C	(1) ACD
Kub	6080	pH 6; Temp: 25 ° C	(1) ACD
Kub	6080	pH 7; Temp: 25 ° C	(1) ACD
Kub	6080	pH 8; Temp: 25 ° C	(1) ACD
Kub	6070	pH 9; Temp: 25 ° C	(1) ACD
Kub	6060	pH 10; Temp: 25 ° C	(1) ACD
log As	4.42	pH 1; Temp: 25 ° C	(1) ACD
log As	4.42	pH 2; Temp: 25 ° C	(1) ACD
log As	4.42	pH 3; Temp: 25 ° C	(1) ACD
log As	4.42	pH 4; Temp: 25 ° C	(1) ACD
log As	4.42	pH 5; Temp: 25 ° C	(1) ACD
log As	4.42	pH 6; Temp: 25 ° C	(1) ACD
log As	4.42	pH 7; Temp: 25 ° C	(1) ACD
log As	4.42	pH 8; Temp: 25 ° C	(1) ACD
log As	4.42	pH 9; Temp: 25 ° C	(1) ACD
log As	4.42	pH 10; Temp: 25 ° C	(1) ACD
logp	4.424 ± 0,618	Temp: 25 ° C	(1) ACD
Kebar intrinsik massic	5.8 x 10-4 g / l	Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 1; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 2; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 3; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 4; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 5; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Sahubat massa	5.8 x 10-4 g / l	pH 6; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 7; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 8; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 9; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	pH 10; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-4 g / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Kebar intrinsik molar	1,1 x 10-6 mol / l	Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,1 x 10-6 mol / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Beurat molekular	528.55
Pka	12.51 ± 0,40	TEMP anu paling asam: 25 ° C	(1) ACD
Pka	-4.70 ± 0,60	Paling dasar temp: 25 ° C	(1) ACD
Tekenan uap	6.91 x 10-20 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	1.35 ± 0,1 g / cm3	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD
Masar	389.8 ± 7.0 cm3 / mol	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD

Lipinski

Harta	Nilai	Kaayaan	Sumber
Beungkeut bébas rotét	9	(1) ACD

Harta	Nilai	Kaayaan	Sumber
H panarima	9		(1) ACD
H donor	1		(1) ACD
H donor / panarima	10		(1) ACD
logp	4.424 ± 0,618	Temp: 25 ° C	(1) ACD
Beurat molekular	528.55

Struktur patali

Harta	Nilai	Kaayaan	Sumber
Daérah permukaan polar	99.1 A2	(1) ACD

Theresalia

Harta	Nilai	Kaayaan	Sumber
Titik anu ngagolak	688.2 ± 65.0 ° C	Pencét: 760 Torr	(1) ACD
Enthalpy tina vaporisasi	105,96 ± 3.0 kJ / mol	Pencét: 760 Torr	(1) ACD
Titik kaingetan	370.0 ± 34,3 ° C		(1) ACD