AG006WIO

5135-30-8 | ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-methylbenzenesulfonate

AG006WIO

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CAS Number	5135-30-8
Catalog Number	AG006WIO(AGN-PC-0SAC0R)
Chemical Name	((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-methylbenzenesulfonate
EC Number	225-883-1
IUPAC Name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
InChI	InChI=1S/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
InChI Key	CAXLRAROZXYOHH-LSCFUAHRSA-N
MDL Number	MFCD00005751
Molecular Formula	C17H19N5O6S
Molecular Weight	421.4277
SMILES	O=S(C1=CC=C(C)C=C1)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C34)[C@H](O)[C@@H]2O)=O
Synonyms	5135-30-8, ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-methylbenzenesulfonate, 5'-O-Tosyladenosine, 5'-O-(toluenesulfonyl)adenosine, 5 -Tosyladenosine, Adenosine 5'-(toluene-4-sulphonate), AK-96636, 5\'-Tosyl Adenosine, PubChem14206, AC1MC4R2, 5'-Tosyladenosine, >=99%, SCHEMBL4087758, EBD28597, ZINC3861767, CT-297, MFCD00005751, AKOS025117354, AC-8700, adenosine 5'-(toluene-4-sulphonate);, AS-15634, Q103, SC-22559, 5 inverted exclamation marka-Tosyladenosine, 5'-O-(P-TOLUENESULFONYL)-ADENOSINE, ST2402077, ST50298829, Adenosine 5 inverted exclamation marka-tosylate, M-1039, 135T308, 5 inverted exclamation marka-O-p-Toluenesulfonyladenosine, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate, [(3S,2R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-methylb enzenesulfonate, 5'-Tosyladenosine, C17H19N5O6S, NSC81149, 5'-Tosyladenosine, 98% - 1G 1g, CID2724351,

Complexity	670
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	421.106g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	421.428g/mol
Monoisotopic Mass	421.106g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	171A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

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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