C39h37n5o7 Adenosin, n-bitzoyl-5'-o- [bis (4-methoxyphenil). -2. -2)

C39h3n5o7 Adenosin, n-bitzoyl-5'-o- [bis (4-methoxyphenil) -2) - aci), aci)

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Pasipatan fisik

Sipat fisik konci	Nilai	Kaayaan
Beurat molekular	687.74	-
Kapadetan (diprediksi)	1.32 ± 0,1 g / cm3	Temp: 20 ° C; Pencét: 760 Torr
Pair (diprediksi)	7,87 ± 0,43	TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC)C=7C=CC=CC7
Imutterik
C (OC [C @ H] 1o [C @ H] ([C @ H] (OC)
Atchi
Inchi = 1s / C39H3n5o7 / C1-49-18-18-1817 (15-19-29) 39 (26-12-18) 38-5-20,28) 38-5-20,28) 38-5-20,28) 38 31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,
34-, 38- / M1 / S1
Konci inci
Sarhdaqoznkzzzzzzzzzzz- cjegosrcsa-n
1 ngaran sanés pikeun zat ieu
N-benzoyl-5'-o- [BIS (4-Metroopyphenyl) Phenylmmethletl] -2'-o-methyadeno (Aci)

Spésér ékspérimén

Spéktra sayogi
1h nmr
13c nmr
Nimbulkeun massa

Diulalkeun sipat

Sipat sayogi
Biologis
Kimia
Perténaran
Lipinski
Struktur patali

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	47800	pH 1; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1.63 x 105	pH 2; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2.16 x 105	pH 3; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2.23 x 105	pH 4; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2.23 x 105	pH 5; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2.18 x 105	pH 6; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1.79 x 105	pH 7; Temp: 25 ° C	(1) ACD
Faktor bioconcation	64900	pH 8; Temp: 25 ° C	(1) ACD
Faktor bioconcation	10600	pH 9; Temp: 25 ° C	(1) ACD
Faktor bioconcation	3110	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	50200	pH 1; Temp: 25 ° C	(1) ACD
Kub	1.71 x 105	pH 2; Temp: 25 ° C	(1) ACD
Kub	2.26 x 105	pH 3; Temp: 25 ° C	(1) ACD
Kub	2.34 x 105	pH 4; Temp: 25 ° C	(1) ACD
Kub	2.34 x 105	pH 5; Temp: 25 ° C	(1) ACD
Kub	2.29 x 105	pH 6; Temp: 25 ° C	(1) ACD
Kub	1.88 x 105	pH 7; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Kub	68000	pH 8; Temp: 25 ° C	(1) ACD
Kub	11200	pH 9; Temp: 25 ° C	(1) ACD
Kub	3260	pH 10; Temp: 25 ° C	(1) ACD
log As	6,67	pH 1; Temp: 25 ° C	(1) ACD
log As	7.21	pH 2; Temp: 25 ° C	(1) ACD
log As	7.33	pH 3; Temp: 25 ° C	(1) ACD
log As	7.34	pH 4; Temp: 25 ° C	(1) ACD
log As	7.34	pH 5; Temp: 25 ° C	(1) ACD
log As	7.33	pH 6; Temp: 25 ° C	(1) ACD
log As	7.25	pH 7; Temp: 25 ° C	(1) ACD
log As	6,80	pH 8; Temp: 25 ° C	(1) ACD
log As	6.02	pH 9; Temp: 25 ° C	(1) ACD
log As	5.49	pH 10; Temp: 25 ° C	(1) ACD
logp	7.344 ± 0,723	Temp: 25 ° C	(1) ACD
Kebar intrinsik massic	2.7 x 10-6 g / l	Temp: 25 ° C	(1) ACD
Sahubat massa	1.2 x 10-5 g / l	pH 1; Temp: 25 ° C	(1) ACD
Sahubat massa	3.7 x 10-6 g / l	pH 2; Temp: 25 ° C	(1) ACD
Sahubat massa	2.8 x 10-6 g / l	pH 3; Temp: 25 ° C	(1) ACD
Sahubat massa	2.8 x 10-6 g / l	pH 4; Temp: 25 ° C	(1) ACD
Sahubat massa	2.8 x 10-6 g / l	pH 5; Temp: 25 ° C	(1) ACD
Sahubat massa	2.8 x 10-6 g / l	pH 6; Temp: 25 ° C	(1) ACD
Sahubat massa	3.4 x 10-6 g / l	pH 7; Temp: 25 ° C	(1) ACD
Sahubat massa	9.6 x 10-6 g / l	pH 8; Temp: 25 ° C	(1) ACD
Sahubat massa	5.7 X 10-5 g / l	pH 9; Temp: 25 ° C	(1) ACD
Sahubat massa	1,9 x 10-4 g / l	pH 10; Temp: 25 ° C	(1) ACD
Sahubat massa	3.4 x 10-6 g / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Kebar intrinsik molar	3.9 x 10-9 mol / l	Temp: 25 ° C	(1) ACD
Kahirupan molar	1,8 x 10-8 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Kahirupan molar	5.4 x 10-9 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Kahirupan molar	4.1 x 10-9 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Kahirupan molar	4.0 x 10-9 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kahirupan molar	4.0 x 10-9 mol / l	pH 5; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Kahirupan molar	4.0 x 10-9 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kahirupan molar	4.9 x 10-9 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kahirupan molar	1.4 x 10-8 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Kahirupan molar	8.3 x 10-8 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.8 x 10-7 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Kahirupan molar	4.9 x 10-9 mol / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Beurat molekular	687.74
Pka	7,87 ± 0,43	TEMP anu paling asam: 25 ° C	(1) ACD
Pka	1.39 ± 0,10	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	1.32 ± 0,1 g / cm3	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD
Masar	518.5 ± 7.0 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	12		(1) ACD
H panarima	12		(1) ACD
H donor	2		(1) ACD
H donor / panarima	14		(1) ACD
logp	7.344 ± 0,723	Temp: 25 ° C	(1) ACD
Beurat molekular	687.74