AG01CB6D

35920-39-9 | b-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-

AG01CB6D

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CAS Number	35920-39-9
Catalog Number	AG01CB6D(AGN-PC-0RBD5F)
Chemical Name	b-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-
IUPAC Name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
InChI	InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
InChI Key	JADDQZYHOWSFJD-FLNNQWSLSA-N
MDL Number	MFCD00069195
Molecular Formula	C12H16N6O4
Molecular Weight	308.2932
SMILES	O[C@H]1[C@H](N2C=NC3=C(N)N=CN=C23)O[C@H](C(NCC)=O)[C@H]1O
Synonyms	5' N Ethylcarboxamidoadenosine, 5'-N-Ethylcarboxamidoadenosine, Adenosine 5' N ethyluronamide, Adenosine, N6-Ethyl-carboxamido, Adenosine-5'-(N-ethylcarboxamide), Adenosine-5'-N-ethyluronamide, N Ethylcarboxamidoadenosine, N-Ethylcarboxamidoadenosine, N6 Ethyl carboxamido Adenosine, N6-Ethyl-carboxamido Adenosine, NECA, NECA, 5'-N-Ethylcarboxamidoadenosine, 35920-39-9, Adenosine-5'-(N-ethylcarboxamide), [3H]NECA, N-ethyl-5'-carboxamidoadenosine, 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide, N-ETHYL-5'-CARBOXAMIDO ADENOSINE, MLS000069759, CHEMBL464859, CHEBI:73284, MFCD00069195, 5'-N-ETHYLCARBOXAMIDO-ADENOSINE, SMR000058759, N-Ethylcarboxamidoadenosine, 5'-N(Sup 6)-Ethylcarboxamidoadenosine, (2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide, (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide, NEC, 5'-ethylcarboxamidoadenosine, 5'-Ethylcarboxamido Adenosine, Adenosine, N6-Ethyl-carboxamido, 2ydv, Adenosine analog, 3, [3H]adenosine-5'-(N-ethylcarboxamide), 1qy5, Opera_ID_470, AC1L9LQM, GTPL377, GTPL425, 5'-Ethylcarboxamido-adenosine, MLS002153347, beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-, REGID_for_CID_448222, SCHEMBL16585523, BDBM21220, (2S,3S,4R)-5-(6-Aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide, (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide, Adenosine-5-(N-ethylcarboxamide), JADDQZYHOWSFJD-FLNNQWSLSA-N, Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-, hemihydrate, HMS2234O07, HMS3676B16, 78647-50-4, ZINC3995401, AKOS024456749, CS-8131, NCGC00025260-02, NCGC00025260-03, NCGC00025260-04, NCGC00025260-05, 5'-(N-Ethylcarboxamido)adenosine, powder, AC-27392, SC-97607, HY-103173, 5 inverted exclamation mark -Ethylcarboxamido Adenosine, 5 inverted exclamation marka-N-ethylcarboxamidoadenosine, 5 inverted exclamation marka-(N-Ethylcarboxamido)adenosine, 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-?-D-ribofuranuronamide, b-D-Ribofuranuronamide,1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-, 5''-N-Ethylcarboxamidoadenosine; D-NECA; NECAMolecular Formula: C12H16N6O4, (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name), N Ethylcarboxamidoadenosine, D0K8ZZ, D0W1XA, Adenosine 5' N ethyluronamide, Adenosine-5'-N-ethyluronamide, 5' N Ethylcarboxamidoadenosine, N6 Ethyl carboxamido Adenosine, N6-Ethyl-carboxamido Adenosine, C12H16N6O4, CID448222, ZINC03995399, C12-H16-N6-O4, D019830,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	308.123g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	308.298g/mol
Monoisotopic Mass	308.123g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	148A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300
Packing Group	Ⅲ
Precautionary statements	P264-P301+P310
UN Code	UN 2811

Certificate of Analysis

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