AG003BOB

3181-38-2 | (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate

AG003BOB

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CAS Number	3181-38-2
Catalog Number	AG003BOB(AGN-PC-0WA5IT)
Chemical Name	(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate
EC Number	221-669-7
IUPAC Name	[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
InChI	InChI=1S/C16H18N4O8/c1-7(21)25-4-10-12(26-8(2)22)13(27-9(3)23)16(28-10)20-6-19-11-14(20)17-5-18-15(11)24/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,24)/t10-,12-,13-,16-/m1/s1
InChI Key	SFEQTFDQPJQUJM-XNIJJKJLSA-N
MDL Number	MFCD00038617
Molecular Formula	C16H18N4O8
Molecular Weight	394.3361
SMILES	O(C(=O)C)[C@H]1[C@@H](O[C@@H]([C@H]1OC(=O)C)COC(=O)C)n1c2c(nc1)c(=O)nc[nH]2
Synonyms	3181-38-2, (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate, 2',3',5'-Tri-O-acetylinosine, 2',3',5'-TRIACETYLINOSINE, O2',O3',O5'-tri-acetylinosine, Inosine 2',3',5'-triacetate, Inosine triacetate, C16H18N4O8, AK115001, EINECS 221-669-7, AI3-52250, AC1Q6MWG, AC1L3W6N, SCHEMBL597993, 2',3',6'-TAc-Ino, SFEQTFDQPJQUJM-XNIJJKJLSA-N, KS-00000N9J, ZINC9013130, MFCD00038617, AKOS016010260, MCULE-3704989643, AJ-59346, AS-12276, SC-62276, AX8007899, SR-01000005768, J-700335, SR-01000005768-1, 9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purin-6-ol, [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate, inosine, 2',3',5'-triacetate, CID96313, NSC90329, AR-1J2395, C16-H18-N4-O8, 2',3',5'-Tri-O-acetylinosine, 98% - 1G 1g, (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyldiacetate, 33024-58-7,

Complexity	698
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	394.112g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	394.34g/mol
Monoisotopic Mass	394.112g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	147A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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