C20H23N5O6 Adenosine, N-Benzoyl-2'-O- (2-methoxyethyl)-(9ci, ACI)

Habari ya kimsingi:

Tuma barua pepe kwetu

Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili	Thamani	Hali
Uzito wa Masi	429.43	-
Uzani (uliotabiriwa)	1.53 ± 0.1 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri)	13.15 ± 0.70	Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC) C = 4C = CC = CC4
Isomeric Smiles O (CCOC) [C@H] 1 [C @@ H] (O [C@H] (CO) [C@H] 1O) N2C = 3C (n = C2) = C (NC (= O) C4 = CC = C4) N = CN3
Inchi
Inchi = 1S/C20H23N5O6/C1-29-7-8-30-16-15 (27) 13 (9-26) 31-20 (16) 25-11-23-14-17 (21-10-22-18 (14) 25) 24-19 (28) 12-5-3-3-2-4-6/H21 0-11,13,15-16,20,26-27h, 7-9H2,1H3, (H, 21,22,24,28)/T13-, 15-, 16-, 20-/m1/S1
Ufunguo wa Inchi
Rufjmcsvnngzfb-khtyjdqrsa-n
Majina mengine 2 kwa dutu hii
N-Benzoyl-2'-O- (2-methoxyethyl) adenosine (ACI); N6-benzoyl-2'-o- (2-methoxyethyl) adenosine

Majaribio ya majaribio

Spectra inapatikana
1H NMR
13C NMR

Mali zilizotabiriwa

Mali inapatikana

Kibaolojia

Kemikali

Wiani

Lipinski

Muundo unaohusiana

Kibaolojia

Mali	Thamani	Hali	Chanzo
Sababu ya bioconcentration	3.71	pH 1; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	14.6	pH 2; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	20.9	pH 3; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	21.8	pH 4; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	21.9	pH 5; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	21.8	pH 6; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	21.4	pH 7; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	17.6	pH 8; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	6.52	pH 9; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.08	pH 10; Temp: 25 ° c	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
KOC	53.2	pH 1; Temp: 25 ° c	(1) ACD
KOC	210	pH 2; Temp: 25 ° c	(1) ACD
KOC	299	pH 3; Temp: 25 ° c	(1) ACD
KOC	312	pH 4; Temp: 25 ° c	(1) ACD
KOC	314	pH 5; Temp: 25 ° c	(1) ACD
KOC	313	pH 6; Temp: 25 ° c	(1) ACD
KOC	306	pH 7; Temp: 25 ° c	(1) ACD
KOC	253	pH 8; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
KOC	93.5	pH 9; Temp: 25 ° c	(1) ACD
KOC	15.5	pH 10; Temp: 25 ° c	(1) ACD
logi	1.30	pH 1; Temp: 25 ° c	(1) ACD
logi	1.90	pH 2; Temp: 25 ° c	(1) ACD
logi	2.05	pH 3; Temp: 25 ° c	(1) ACD
logi	2.07	pH 4; Temp: 25 ° c	(1) ACD
logi	2.07	pH 5; Temp: 25 ° c	(1) ACD
logi	2.07	pH 6; Temp: 25 ° c	(1) ACD
logi	2.06	pH 7; Temp: 25 ° c	(1) ACD
logi	1.98	pH 8; Temp: 25 ° c	(1) ACD
logi	1.54	pH 9; Temp: 25 ° c	(1) ACD
logi	0.76	pH 10; Temp: 25 ° c	(1) ACD
Logp	2.085 ± 0.689	Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani	0.030 g/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.17 g/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.0429 g/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.030 g/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.029 g/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.029 g/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.029 g/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.029 g/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.036 g/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.094 g/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.60 g/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.029 g/l	Maji yasiyokuwa na maji pH 6.38; Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani wa molar	7.0 x 10-5 mol/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	3.9 x 10-4 mol/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.00 x 10-4 mol/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.0 x 10-5 mol/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	6.7 x 10-5 mol/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	6.7 x 10-5 mol/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	6.7 x 10-5 mol/l	pH 6; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa molar	6.8 x 10-5 mol/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	8.3 x 10-5 mol/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.2 x 10-4 mol/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.4 x 10-3 mol/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	6.7 x 10-5 mol/l	Maji yasiyokuwa na maji pH 6.38; Temp: 25 ° c	(1) ACD
Uzito wa Masi	429.43
PKA	13.15 ± 0.70	Templeti nyingi za asidi: 25 ° C.	(1) ACD
PKA	8.80 ± 0.10	Muda wa msingi zaidi: 25 ° C.	(1) ACD

Wiani

Mali	Thamani	Hali	Chanzo
Wiani	1.53 ± 0.1 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha molar	280.3 ± 7.0 cm3/mol	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vya mzunguko wa bure	9		(1) ACD
Wapokeaji	11		(1) ACD
H wafadhili	3		(1) ACD
H wafadhili/jumla ya jumla	14		(1) ACD
Logp	2.085 ± 0.689	Temp: 25 ° c	(1) ACD
Uzito wa Masi	429.43