AG001EMJ

147127-19-3 | Phosphonic acid, P-[[(1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-

AG001EMJ

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CAS Number	147127-19-3
Catalog Number	AG001EMJ(AGN-PC-0PZUPF)
Chemical Name	Phosphonic acid, P-[[(1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
IUPAC Name	[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
InChI	InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m0/s1
InChI Key	SGOIRFVFHAKUTI-LURJTMIESA-N
MDL Number	MFCD21604708
Molecular Formula	C9H14N5O4P
Molecular Weight	287.2123
SMILES	C[C@H](OCP(O)(O)=O)CN1C=NC2=C(N)N=CN=C12
Synonyms	147127-19-3, (S)-Tenofovir, (S)-(((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid, (S)-PMPA, (S)-9-(2-Phosphonylmethoxypropyl)adenine, Phosphonic acid, (((1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, Viread (prodrug for Tenofovir), (R)-9-(Phosphonomethoxypropyl)adenine, GS 1275, Phosphonic acid, [[(1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, AK122436, Tenofovir [USAN:INN], AC1L3V7U, [(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid, CHEMBL483891, SCHEMBL2040329, KS-00000IWD, Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, (R)-, ZINC2020246, 7307AA, MFCD21604708, API0019506, AJ-78846, SC-88390, (s)-9-[2-(phosphonomethoxy)propyl]adenine, AX8232405, LS-173297, FT-0696939, ST24035672, 9-(2-phosphonylmethoxypropyl)adenine, (R)-isomer, J-008317, [(1S)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid, ({[(2S)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid, (((R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid, monohydrate, (R)-((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid monohydrate, Phosphonic acid, P-[[(1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, Tenofovir, Apropovir, PMPA, C9H14N5O4P, CID122767, (R)-9-(2-Phosphonomethoxypropyl)adenine, C19H30N5O10P.C4H4O4, 9-((R)-2-(Phosphonomethoxy)propyl)adenine monohydrate, 147127-20-6, (((1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid, (S)-(((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonicacid, Phosphonic acid, (((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	287.078g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	287.216g/mol
Monoisotopic Mass	287.078g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	136A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number