C42H52N52N5G5KO, N-acetil-5 '-o- [BIS (4---metroxylata] Angkat (aci) gambar (Aciy)

C42H52N52N50n50 Cynidine, n-acetyl-5 '-o- [BIS (4-Metroxymtil)

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CAT Nomer Pendaptaran

199593-09-4

Sipat fisik konci	Nilai	Kaayaan
Beurat molekular	801.87	-
Pair (diprediksi)	10.18 ± 0,20	TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Imut

N # cccop (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C5) CC = CC

Imutterik

C (OC [C @@ H] 1 [C @@ (OP (N (C (C) 'C2) = C (OC) c = c4) c5 = cc = cc = c5

Atchi

Inchi = 1s / C42H52n50n5O9p / C1-28 (2) 47 (29 (3) 4) 57) 5980) 5980 -42 (31-13-10-9-11-14-31,32-15-19-34 (50-16) 3-16-32) 31-8-18h2, 1218H2, 1218H2, ( H, 44,45,48,49) / T36-, 38-, 39-, 40-, 57? / M1 / S1

Konci inci

Wnwumipfloktez-uaqipllsa-n

1 ngaran sanés pikeun zat ieu

Cytiidine,N-Acetl-5 '-O- [BIS (4-methoxyphenyl) phenylmethletl) -O-Methyl-, 3 '- [2-cranoethily BIS (1-. Meth friossamdia] (9Ci)

Sipat sayogi
Biologis
Kimia
Lipinski
Struktur patali

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	4.77	pH 1; Temp: 25 ° C	(1) ACD
Faktor bioconcation	50.1	pH 2; Temp: 25 ° C	(1) ACD
Faktor bioconcation	2190	pH 3; Temp: 25 ° C	(1) ACD
Faktor bioconcation	21700	pH 4; Temp: 25 ° C	(1) ACD
Faktor bioconcation	35700	pH 5; Temp: 25 ° C	(1) ACD
Faktor bioconcation	37800	pH 6; Temp: 25 ° C	(1) ACD
Faktor bioconcation	37900	pH 7; Temp: 25 ° C	(1) ACD
Faktor bioconcation	37300	pH 8; Temp: 25 ° C	(1) ACD
Faktor bioconcation	31400	pH 9; Temp: 25 ° C	(1) ACD
Faktor bioconcation	12300	pH 10; Temp: 25 ° C	(1) ACD

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

Kimia

Sumber kaayaan nilai harta

Koc 8,29 ph 1; Temp: 25 ° C (1) acd

Koc 87.1 pH 2; Temp: 25 ° C (1) acd

Koc 3800 PH 3; Temp: 25 ° C (1) acd

Koc 37700 PH 4; Temp: 25 ° C (1) acd

Koc 62000 PH 5; Temp: 25 ° C (1) acd

Koc 65700 pH 6; Temp: 25 ° C (1) acd

Koc 65900 pH 7; Temp: 25 ° C (1) acd

Koc 64700 PH 8; Temp: 25 ° C (1) acd

Koc 54500 pH 9; Temp: 25 ° C (1) acd

Koc 21400 PH 10; Temp: 25 ° C (1) acd

LogD 2.43 pH 1; Temp: 25 ° C (1) acd

LogD 3.45 pH 2; Temp: 25 ° C (1) acd

LogD 5.09 ph 3; Temp: 25 ° C (1) acd

Harta	Nilai	Kaayaan	Sumber
log As	6.09	pH 4; Temp: 25 ° C	(1) ACD
log As	6,30	pH 5; Temp: 25 ° C	(1) ACD
log As	6,33	pH 6; Temp: 25 ° C	(1) ACD
log As	6,33	pH 7; Temp: 25 ° C	(1) ACD
log As	6.32	pH 8; Temp: 25 ° C	(1) ACD
log As	6.25	pH 9; Temp: 25 ° C	(1) ACD
log As	5.84	pH 10; Temp: 25 ° C	(1) ACD
logp	6.329 ± 0,771	Temp: 25 ° C	(1) ACD
Kebar intrinsik massic	1,8 x 10-4 g / l	Temp: 25 ° C	(1) ACD
Sahubat massa	1.4 g / l	pH 1; Temp: 25 ° C	(1) ACD
Sahubat massa	0,14 g / l	pH 2; Temp: 25 ° C	(1) ACD
Sahubat massa	3.1 x 10-3 g / l	pH 3; Temp: 25 ° C	(1) ACD
Sahubat massa	3.2 x 10-4 g / l	pH 4; Temp: 25 ° C	(1) ACD
Sahubat massa	1,9 x 10-4 g / l	pH 5; Temp: 25 ° C	(1) ACD
Sahubat massa	1,8 x 10-4 g / l	pH 6; Temp: 25 ° C	(1) ACD
Sahubat massa	1,8 x 10-4 g / l	pH 7; Temp: 25 ° C	(1) ACD
Sahubat massa	1,8 x 10-4 g / l	pH 8; Temp: 25 ° C	(1) ACD
Sahubat massa	2.2 x 10-4 g / l	pH 9; Temp: 25 ° C	(1) ACD
Sahubat massa	5.6 x 10-4 g / l	pH 10; Temp: 25 ° C	(1) ACD
Sahubat massa	1,8 x 10-4 g / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Kebar intrinsik molar	2.3 x 10-7 mol / l	Temp: 25 ° C	(1) ACD
Kahirupan molar	1,8 x 10-3 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Kahirupan molar	1,7 x 10-4 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Kahirupan molar	3.9 x 10-6 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Kahirupan molar	4.0 x 10-7 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.4 x 10-7 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.3 x 10-7 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.3 x 10-7 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.3 x 10-7 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.8 x 10-7 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.0 x 10-7 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.3 x 10-7 mol / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Beurat molekular	801.87
Pka	10.18 ± 0,20	TEMP anu paling asam: 25 ° C	(1) ACD
Pka	3.57 ± 0,20	Paling dasar temp: 25 ° C	(1) ACD

Lipinski

Harta	Nilai	Kaayaan	Sumber
Beungkeut bébas rotét	18		(1) ACD
H panarima	14		(1) ACD
H donor	1		(1) ACD
H donor / panarima	15		(1) ACD
logp	6.329 ± 0,771	Temp: 25 ° C	(1) ACD
Beurat molekular	801.87