C17H17N5O5 Adenosine, N-Benzoyl- (7ci, 9ci, ACI) H333, H303, H302

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	371.35	-
Hatua ya kuyeyuka (majaribio)	152 ° C.	-
Uzani (uliotabiriwa)	1.70 ± 0.1 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri)	7.87 ± 0.43	Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CO) C (O) C3O) C = 4C = CC = CC4
Isomeric Smiles O [C@H] 1 [C@H] (N2C = 3C (n = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) O [C@H] (CO) [C@H] 1O
Inchi
Inchi = 1S/C17H17N5O5/C23-6-10-12 (24) 13 (25) 17 (27-10) 22-8-20-11-14 (18-7-19-15 23-25h, 6h2, (h, 18,19,21,26)/t10-, 12-, 13-, 17-/m1/s1
Ufunguo wa Inchi
NZDWTKFDAUOODA-CNEMSGBDSA-N
Majina mengine 3 kwa dutu hii
Benzamide, N- (9-β-D-ribofuranosyl-9H-purin-6-yl)-(8ci); N-benzoyladenosine (ACI); N6-benzoyladenosine

Mali ya majaribio

Mali inapatikana

Mafuta

Mafuta

Mali	Thamani	Hali	Chanzo
Hatua ya kuyeyuka	152 ° C.	(1) IC

(1) Gopalakrishnan, Vidhya; Utaratibu - Chuo cha Sayansi cha India, Sayansi ya Kemikali, (1989), 101 (5), 401-13, Caplus

Majaribio ya majaribio

Spectra inapatikana
1H NMR
13C NMR
Hetero nmr
IR

Mali zilizotabiriwa

Mali inapatikana

Kibaolojia

Kemikali

Wiani

Lipinski

Muundo unaohusiana

Kibaolojia

Mali	Thamani	Hali	Chanzo
Sababu ya bioconcentration	1.0	pH 1; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.83	pH 2; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	2.56	pH 3; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	2.67	pH 4; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	2.68	pH 5; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	2.65	pH 6; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	2.37	pH 7; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.16	pH 8; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 9; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.0	pH 10; Temp: 25 ° c	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
KOC	12.6	pH 1; Temp: 25 ° c	(1) ACD
KOC	48.2	pH 2; Temp: 25 ° c	(1) ACD
KOC	67.3	pH 3; Temp: 25 ° c	(1) ACD
KOC	70.1	pH 4; Temp: 25 ° c	(1) ACD
KOC	70.3	pH 5; Temp: 25 ° c	(1) ACD
KOC	69.5	pH 6; Temp: 25 ° c	(1) ACD
KOC	62.2	pH 7; Temp: 25 ° c	(1) ACD
KOC	30.5	pH 8; Temp: 25 ° c	(1) ACD
KOC	5.54	pH 9; Temp: 25 ° c	(1) ACD
KOC	1.22	pH 10; Temp: 25 ° c	(1) ACD
logi	0.12	pH 1; Temp: 25 ° c	(1) ACD
logi	0.70	pH 2; Temp: 25 ° c	(1) ACD
logi	0.85	pH 3; Temp: 25 ° c	(1) ACD
logi	0.86	pH 4; Temp: 25 ° c	(1) ACD
logi	0.87	pH 5; Temp: 25 ° c	(1) ACD
logi	0.86	pH 6; Temp: 25 ° c	(1) ACD
logi	0.81	pH 7; Temp: 25 ° c	(1) ACD
logi	0.50	pH 8; Temp: 25 ° c	(1) ACD
logi	-0.24	pH 9; Temp: 25 ° c	(1) ACD
logi	-0.89	pH 10; Temp: 25 ° c	(1) ACD
Logp	0.868 ± 0.577	Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani	0.037 g/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.22 g/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.056 g/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.041 g/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.041 g/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.037 g/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.041 g/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.045 g/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.089 g/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.48 g/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	2.2 g/l	pH 10; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa wingi	0.041 g/l	Maji yasiyokuwa na maji pH 5.93; Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani wa molar	1.0 x 10-4 mol/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	5.8 x 10-4 mol/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.5 x 10-4 mol/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.1 x 10-4 mol/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.1 x 10-4 mol/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.0 x 10-4 mol/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.1 x 10-4 mol/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.2 x 10-4 mol/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.4 x 10-4 mol/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.3 x 10-3 mol/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	6.0 x 10-3 mol/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	1.1 x 10-4 mol/l	Maji yasiyokuwa na maji pH 5.93; Temp: 25 ° c	(1) ACD
Uzito wa Masi	371.35
PKA	7.87 ± 0.43	Templeti nyingi za asidi: 25 ° C.	(1) ACD
PKA	1.39 ± 0.10	Muda wa msingi zaidi: 25 ° C.	(1) ACD

Wiani

Mali	Thamani	Hali	Chanzo
Wiani	1.70 ± 0.1 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha molar	217.3 ± 7.0 cm3/mol	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vya mzunguko wa bure	6		(1) ACD
Wapokeaji	10		(1) ACD
H wafadhili	4		(1) ACD
H wafadhili/jumla ya jumla	14		(1) ACD
Logp	0.868 ± 0.577	Temp: 25 ° c	(1) ACD
Uzito wa Masi	371.35

Muundo unaohusiana

Mali	Thamani	Hali	Chanzo
Eneo la uso wa polar	143 A2	(1) ACD

Utabiri uliotabiriwa

Spectra inapatikana
1H NMR
13C NMR

Taarifa za hatari za GHS

Nambari	Taarifa ya hatari	Chanzo
H333	Inaweza kuwa na madhara ikiwa kuvuta pumzi	Mtaalam aliyechafuliwa
H303	Inaweza kuwa na madhara ikiwa imemezwa	Mtaalam aliyechafuliwa
H302	Hatari ikiwa imemezwa	Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) na Uainishaji wa Uainishaji - Uainishaji ulioarifiwa na Uandishi - Arifa za kawaida, Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA)

Habari ya kisheria

Orodha ya Udhibiti: Fikia, TCSI

Habari ya Biashara ya Siri: Umma

Visawe vya kisheria
Adenosine, n-benzoyl-	Fikia, TCSI	-
N- {9-[(2r, 3r, 4s, 5r) -3,4-dihydroxy-5- (hydroxymethyl) oxolan-2-yl] -9H-purin-6-y} benzamide	Fikia	-
N6-benzoyladenosine	Fikia	-