C17h17n5o5 adenosine, n-benzoyl- (7ci, 9ci, ACI) H333, H303, H302

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Physica proprietatibus

Key physica proprietatibus	Valor	Conditio
Pondus	371,35	-
Melting Point (experimentalem)	CLII ° C	-
Density (praedicta)	1.70 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	7.87 ± 0.43	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica smiles o = C (NC1 = NC = NC2 = C1N = CN2C3OC (co) C (o) C3O) C = 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 (XXIV) XIII (XXV) XVII (27-10) 22-8-20-11-11 (18-7-19-15 (XI) XXII) 21-16 (XXVI) 9-4-2-13,1-13,17 / H1-5,7-8,10,12-13,17 23-25H, 6H2, (h, 18,19,21,26) / T10-, 12-, 13-, 17- / M1 / S1
Key Inchi
Nzdwtkfdaooda, cnemsgbdsa, n
III alia nomina huius substantiae
Benzamide, N- (IX-β-d-ribofuranosyl, 9h-Purin-VI-YL) - (8ci); N-benzoyladenosine (aci); N6, Benzoyladenosine

Experimentum proprietatibus

Proprietatibus praesto

Scelerum

Scelerum

Res	Valor	Conditio	Fons
Point liquescens	CLII ° C	(I) IC

(I) Gopalakrishnan, Vidhya; Acta - Indian Academy of Sciences, eget Scientiarum (MCMLXXXIX), CI (V), 401-13, Caplus

Experimentalem spectra

Spectra praesto
1h NMR
13c NMR
Nmr hetero
IR

Praedixit possessiones

Proprietatibus praesto

Biological

Proiectus

Densitas

Lipinski

Structuram related

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	1.0	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.83	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.56	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.67	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.68	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2.65	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	2,37	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.16	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	1.0	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Res	Valor	Conditio	Fons
Koc	12,6	PH I; Temp: XXV ° C	(I) ACD
Koc	48.2	PH II; Temp: XXV ° C	(I) ACD
Koc	67.3	PH III; Temp: XXV ° C	(I) ACD
Koc	70.1	PH IV; Temp: XXV ° C	(I) ACD
Koc	70.3	PH V; Temp: XXV ° C	(I) ACD
Koc	69.5	Ph VI; Temp: XXV ° C	(I) ACD
Koc	62.2	PH VII; Temp: XXV ° C	(I) ACD
Koc	30.5	PH VIII; Temp: XXV ° C	(I) ACD
Koc	5.54	PH IX; Temp: XXV ° C	(I) ACD
Koc	1.22	PH X; Temp: XXV ° C	(I) ACD
logd	0.12	PH I; Temp: XXV ° C	(I) ACD
logd	0,70	PH II; Temp: XXV ° C	(I) ACD
logd	0,85	PH III; Temp: XXV ° C	(I) ACD
logd	0,86	PH IV; Temp: XXV ° C	(I) ACD
logd	0,87	PH V; Temp: XXV ° C	(I) ACD
logd	0,86	Ph VI; Temp: XXV ° C	(I) ACD
logd	0,81	PH VII; Temp: XXV ° C	(I) ACD
logd	0,50	PH VIII; Temp: XXV ° C	(I) ACD
logd	-0.24	PH IX; Temp: XXV ° C	(I) ACD
logd	-0.89	PH X; Temp: XXV ° C	(I) ACD
logp	0.868 ± 0.577	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	0.037 g / l	Temp: XXV ° C	(I) ACD
Missam solubility	0.22 g / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	0.056 G / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	0.041 G / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	0.041 G / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	0.037 g / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	0.041 G / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	0.045 g / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	0.089 G / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	0.48 g / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	2.2 g / l	PH X; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Missam solubility	0.041 G / l	Unbuffered aqua PH 5.93; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	1.0 X 10-4 Mol / l	Temp: XXV ° C	(I) ACD
Molaris solubility	5.8 x 10-4 Mol / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	1.5 x 10-4 Mol / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-4 Mol / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-4 Mol / l	PH IV; Temp: XXV ° C	(I) ACD
Molaris solubility	1.0 X 10-4 Mol / l	PH V; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-4 Mol / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-4 Mol / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	2.4 x 10-4 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	10-3 Mol X 1-3 / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	6.0 X 10-3 Mol / l	PH X; Temp: XXV ° C	(I) ACD
Molaris solubility	X 10-4 Mol / l	Unbuffered aqua PH 5.93; Temp: XXV ° C	(I) ACD
Pondus	371,35
PKA	7.87 ± 0.43	Most Acidic Temp: XXV ° C	(I) ACD
PKA	1.39 ± 0.10	Maxime basic temp: XXV °	(I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.70 ± 0.1 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	217.3 7.0 CM3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	6		(I) ACD
H acceptors	10		(I) ACD
H donos	4		(I) ACD
H donator / Acceptor Sum	14		(I) ACD
logp	0.868 ± 0.577	Temp: XXV ° C	(I) ACD
Pondus	371,35

Structuram related

Res	Valor	Conditio	Fons
Polar superficies regio	CXLIII A2	(I) ACD

Praedicta Spectra

Spectra praesto
1h NMR
13c NMR

GHS aleam dicta

Codex	Aleam dicitur	Fons
H333	Sit nocivum si haustus	Peritus curated
H303	Sit noxia, si absorbuit	Peritus curated
H302	Nocivis, si absorbuit	Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications

Regulatory notitia

List Regulatory: Tende, TCSI

Secretum Business Information: Public

Regulatory synonyms
Adenosine, N-Benzoyl-	Attingere, TCSI	-
N- {IX - [(2r, 3r, 4s, 5r) -3,4-dihydroxy-5 (hydroxymethyl) Oxolan-II-YL] -9h-VI -1} Benzamide	Procreo	-
N6, Benzoyladenosine	Procreo	-