AG00376M

4546-55-8 | Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-(8CI)

AG00376M

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CAS Number	4546-55-8
Catalog Number	AG00376M(AGN-PC-0OAIC4)
Chemical Name	Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-(8CI)
EC Number	610-251-3
IUPAC Name	N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
InChI Key	NZDWTKFDAUOODA-CNEMSGBDSA-N
MDL Number	MFCD27977441
Molecular Formula	C17H17N5O5
Molecular Weight	371.3474
SMILES	OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3NC(C4=CC=CC=C4)=O)O1)O)O
Synonyms	N6-Benzoyladenosine, 4546-55-8, N-Benzoyladenosine, Adenosine, N-benzoyl-, MFCD00056988, N4-benzoyl adenosine, N-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide, N6-Benzoyl adenosine, n-benzoyl adenosine, AK114406, N-{9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-yl}benzamide, N-{9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl}-9H-purin-6-yl]benzamide, Bz-rA, n6-benzoyl-adenosine, 6-N-Benzoyladenosine, N6 -benzoyl adenosine, 6 -N-Benzoyl adenosine, N-Benzoyladenosine, 96%, KSC235M6F, SCHEMBL233208, N6-BENZOYL-D-ADENOSINE, adenosine-1'-13C-N-benzoyl-, CHEMBL1688962, CTK1D5662, DTXSID10471222, NZDWTKFDAUOODA-CNEMSGBDSA-N, ACT06793, ANW-30282, EBD210313, ZINC12958376, AKOS015839046, AKOS015889319, CM14344, CS-W008388, RL03707, KS-00000Y99, AJ-63318, AS-18866, CJ-14294, SC-54128, AB0030767, AX8016658, DB-051305, TR-017271, FT-0635357, ST24048772, X2998, A-8602, N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide, 335595-67-0, n-benzoyl-adenosine, N6-Benzoyladenosine Hydrate, C17H17N5O5, CB-432, ZINC04159873, ACN-036821, N6-Benzoyladenosine, 97% - 5G 5g, CID11728391,

Complexity	534
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	371.123g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	371.353g/mol
Monoisotopic Mass	371.123g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	143A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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