AG003FFI

7387-57-7 | (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate

AG003FFI

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CAS Number	7387-57-7
Catalog Number	AG003FFI(AGN-PC-0U45OZ)
Chemical Name	(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
IUPAC Name	[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
InChI	InChI=1S/C16H19N5O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
InChI Key	GCVZNVTXNUTBFB-XNIJJKJLSA-N
MDL Number	MFCD00057001
Molecular Formula	C16H19N5O7
Molecular Weight	393.3514
SMILES	NC1=NC=NC2=C1N=CN2[C@H](O3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3COC(C)=O
Synonyms	2',3',5'-tri-O-acetyladenosine, 7387-57-7, 2',3',5'-Tri-O-acetyladenosine, Tri-O-acetyladenosine, (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate, Adenosine 2',3',5'-Triacetate, Adenosine, 2',3',5'-triacetate, NSC 76766, 2',3',5'-Tri-O-acetyl-D-adenosine, 2',3',5'-Tri-O-acetyl adenosine, MFCD00057001, 2',3',5'-Tri-O-acetyl, AK163064, AC1L3WLL, 2,3,5-Tri-O-acetyladenosine, AC1Q60B7, SCHEMBL4425824, [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate, GCVZNVTXNUTBFB-XNIJJKJLSA-N, 2?,3?,5?-Tri-O-acetyladenosine, ZINC4204377, AKOS004903253, DS-8003, SC-58355, 2\',3\',5\'-Tri-O-acetyl-D-adenosine, DB-019682, FT-0636470, ST24038310, 2',3',5'-Tri-O-acetyladenosine, >=98%, 387T577, C-21585, J-700360, 2'',3'',5''-Tri-O-acetyladenosine; NSC 76766; AC1L5OKE;, [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methyl acetate, 2 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka-Tri-O-acetyladenosine, T7895_SIGMA, C16H19N5O7, CID96503, AR-1H6596, C16-H19-N5-O7, 2',3',5'-Tri-O-acetyladenosine, 98% - 1G 1g, 76963-41-2,

Complexity	620
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	393.128g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	393.356g/mol
Monoisotopic Mass	393.128g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	158A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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