C41h41n5O8 Adénosin, N-Benzoyl-5'-O- [BIS (4-Metroopyyphenillat) -2).

C41h41n5o8 Adénosine, N-Bavzoyl-5'-O- [BIS (4-Methoxyphenilyl) -2) - Aci)

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Pasipatan fisik

Sipat fisik konci	Nilai	Kaayaan
Beurat molekular	731.79	-
Titik lebur (ékspérimén)	119-121 ° C	-
Kapadetan (diprediksi)	1.31 ± 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

Kanonical imut o = c (nc1 = nc = nc2 = c1n = c1n = cn2c3oc (co (cc4 = cc = cc4) cc = cc4) cc4) cc4) cc4) cc4) cct = cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc4) cc. cc7
Imutterik
C (OC [C @ H] 1o [C @ H] ([C @ H] (Watloc) [CC
= C6) c7 = cc = cc = c7
Atchi
Inchi = 1s / c41h41n5n5o8 / C1-49-22-26-32-26-36 (47) 33-40 (48-15-4850) 48-110) 48-110) 48-110 41 (28-12-8-5-2-13-13,29-14-18-31 (50-2) 19-150-29-30 (H4,4-24,42,40,9-,1-31, 22-24.1-3 ud 7.48. 21-36.4-24,4-24,4-24,4-24,4-24,1-31 M4,1-3H2,7-3O). (H, 42,43,45,48) / T33-, 35-, 36-, 40- / M1 / s1
Konci inci
Kevmxgndtncppsmcp-mumpvva-n
16 ngaran sanés pikeun zat ieu
N-Benzoyl-5'-o- [BIS (4-Metoxyphenyl 17: PN: US2003003222116106: 19 urutan dituntut; 18: PN: US200400050040005569: 22 urutan anu ngaku; 20: PN: US20040006033030: 23 urutan; 20: PN: US20040040040047 Halaman: 21 urutan dituntut; 20: PN: US20040040049 Halaman: 21 urutan anu ngaku 21: PN: US200400055550 PAG

E: 20 urutan anu ngaku; 21: PN: US20040040048 Halaman: 21 urutan anu ngaku; 21: PN: US2004004004020: 20 urutan ngaku; 22: PN: US2004000556554 Halaman: 17- 22 urutan anu ngaku; 22: PN: US2004004000020 halaman: 23 urutan anu ngaku; 23: PN: US20040 214699 halaman: 20 urutan ngaku; 24: PN: US200400066029: 23 urutan anu ngaku; 24: Pn: Wo03066645 halaman: 73 urutan ngaku; 5'-dimingtoxstrimit-2'-O- (2-Metoxyletl) -n6-bitzoyl; Adenosine; 95: PN: Halaman US2004000570907: 20 urutan anu ngaku

Sipat ékspérimén

Sipat sayogi

Theresalia

Theresalia

Harta	Nilai	Kaayaan	Sumber
Titik lebur	119-121 ° C	(1) CAS

(1) Pujarla, srichylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus

Spésér ékspérimén

Spéktra sayogi
1h nmr
13c nmr

Diulalkeun sipat

Sipat sayogi

Biologis

Kimia

Perténaran

Lipinski

Struktur patali

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	31700	pH 1; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1.08 x 105	pH 2; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1,43 x 105	pH 3; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1,48 x 105	pH 4; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1,48 x 105	pH 5; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1.45 x 105	pH 6; Temp: 25 ° C	(1) ACD
Faktor bioconcation	1.19 x 105	pH 7; Temp: 25 ° C	(1) ACD
Faktor bioconcation	43000	pH 8; Temp: 25 ° C	(1) ACD
Faktor bioconcation	7050	pH 9; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Faktor bioconcation	2060	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	37400	pH 1; Temp: 25 ° C	(1) ACD
Kub	1.28 x 105	pH 2; Temp: 25 ° C	(1) ACD
Kub	1.69 x 105	pH 3; Temp: 25 ° C	(1) ACD
Kub	1.74 x 105	pH 4; Temp: 25 ° C	(1) ACD
Kub	1.74 x 105	pH 5; Temp: 25 ° C	(1) ACD
Kub	1.71 x 105	pH 6; Temp: 25 ° C	(1) ACD
Kub	1.40 x 105	pH 7; Temp: 25 ° C	(1) ACD
Kub	50700	pH 8; Temp: 25 ° C	(1) ACD
Kub	8320	pH 9; Temp: 25 ° C	(1) ACD
Kub	2430	pH 10; Temp: 25 ° C	(1) ACD
log As	6,44	pH 1; Temp: 25 ° C	(1) ACD
log As	6,97	pH 2; Temp: 25 ° C	(1) ACD
log As	7.09	pH 3; Temp: 25 ° C	(1) ACD
log As	7.11	pH 4; Temp: 25 ° C	(1) ACD
log As	7.11	pH 5; Temp: 25 ° C	(1) ACD
log As	7.10	pH 6; Temp: 25 ° C	(1) ACD
log As	7.01	pH 7; Temp: 25 ° C	(1) ACD
log As	6,57	pH 8; Temp: 25 ° C	(1) ACD
log As	5.78	pH 9; Temp: 25 ° C	(1) ACD
log As	5.25	pH 10; Temp: 25 ° C	(1) ACD
logp	7,109 ± 0,766	Temp: 25 ° C	(1) ACD
Kebar intrinsik massic	5.6 x 10-6 g / l	Temp: 25 ° C	(1) ACD
Sahubat massa	2.6 x 10-5 g / l	pH 1; Temp: 25 ° C	(1) ACD
Sahubat massa	7.3 x 10-6 g / l	pH 2; Temp: 25 ° C	(1) ACD
Sahubat massa	5.8 x 10-6 g / l	pH 3; Temp: 25 ° C	(1) ACD
Sahubat massa	5.6 x 10-6 g / l	pH 4; Temp: 25 ° C	(1) ACD
Sahubat massa	5.6 x 10-6 g / l	pH 5; Temp: 25 ° C	(1) ACD
Sahubat massa	5.7 x 10-6 g / l	pH 6; Temp: 25 ° C	(1) ACD
Sahubat massa	7.0 x 10-6 g / l	pH 7; Temp: 25 ° C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Sahubat massa	1,9 x 10-5 g / l	pH 8; Temp: 25 ° C	(1) ACD
Sahubat massa	1,2 x 10-4 g / l	pH 9; Temp: 25 ° C	(1) ACD
Sahubat massa	4.0 x 10-4 g / l	pH 10; Temp: 25 ° C	(1) ACD
Sahubat massa	7.0 x 10-6 g / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Kebar intrinsik molar	7.6 x 10-9 mol / l	Temp: 25 ° C	(1) ACD
Kahirupan molar	3.6 x 10-8 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Kahirupan molar	1.0 x 10-8 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.9 x 10-9 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Kahirupan molar	7,7 x 10-9 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Kahirupan molar	7,7 x 10-9 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Kahirupan molar	7.8 x 10-9 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Kahirupan molar	9.6 x 10-9 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Kahirupan molar	2.6 x 10-8 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Kahirupan molar	1.6 x 10-7 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Kahirupan molar	5.5 x 10-7 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Kahirupan molar	9.5 x 10-9 mol / l	Cai pH 7,00; Temp: 25 ° C	(1) ACD
Beurat molekular	731.79
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	1.31 ± 0,1 g / cm3	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD
Masar	556.9 ± 7.0 cm3 / mol	Temp: 20 ° C; Pencét: 760 Torr	(1) ACD