AG008QH5

74299-50-6 | disodium hydrogen [({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]phosphonate

AG008QH5

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CAS Number	74299-50-6
Catalog Number	AG008QH5(AGN-PC-0U4W9W)
Chemical Name	disodium hydrogen [({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]phosphonate
IUPAC Name	disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
InChI	InChI=1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChI Key	JEKDCIBJADJZSK-OJSHLMAWSA-L
MDL Number	MFCD00080335
Molecular Formula	C10H14N5Na2O12P3
Molecular Weight	535.1453
SMILES	O=P(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)C[C@@H]1O)(OP([O-])(OP(O)([O-])=O)=O)O.[Na+].[Na+]
Synonyms	74299-50-6, 2'-Deoxyadenosine-5'-triphosphate disodium salt, MFCD00080335, 1927-31-7, Sodium ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate, dATP-Na2, (((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid, BID2033, ZX-AFC003064, HG1058, AKOS025147049, AK164749, ST24033351, 2'-Deoxyadenosine-5'-triphosphate, sodium salt, J-700037, 2'-DEOXYADENOSINE-5'-TRIPHOSPHATE, DISODIUM SALT, deoxy-ATP, dATP, 2'-Datp, UNII-K8KCC8SH6N, Deoxyadenosine triphosphate, 2'-deoxyadenosine triphosphate, Deoxyadenosine 5'-triphosphate, C10H16N5O12P3.2Na, EINECS 217-662-3, EINECS 277-809-2, BRN 0071964, C10-H16-N5-O12-P3, C10-H16-N5-O12-P3.2Na, 2'-Deoxyadenosine 5'-(tetrahydrogen triphosphate), 4-26-00-03593 (Beilstein Handbook Reference), 2'-DEOXYADENOSINE-5'-TRIPHOSPHATEDISODIUMSALT, Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, 2'-Deoxyadenosine 5'-(disodium dihydrogen triphosphate), ADENOSINE, 2'-DEOXY-, 5'-(TETRAHYDROGEN TRIPHOSPHATE),

Complexity	758
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	534.965g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	535.146g/mol
Monoisotopic Mass	534.965g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	265A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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