AG002DCA

201341-05-1 | 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide

AG002DCA

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CAS Number	201341-05-1
Catalog Number	AG002DCA(AGN-PC-0QS3JE)
Chemical Name	2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide
IUPAC Name	[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
InChI	InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
InChI Key	JFVZFKDSXNQEJW-CQSZACIVSA-N
MDL Number	MFCD00952920
Molecular Formula	C19H30N5O10P
Molecular Weight	519.4428
SMILES	[C@@H](C[N]1C2=C(N=C1)C(=NC=N2)N)(OC[P](OCOC(OC(C)C)=O)(OCOC(OC(C)C)=O)=O)C
UNII	F4YU4LON7I
Synonyms	(R)-9-(2-phosphonylmethoxypropyl)adenine, 9-(2-phosphonomethoxypropyl)adenine, 9-(2-phosphonylmethoxypropyl)adenine, 9-(2-phosphonylmethoxypropyl)adenine, (+-)-isomer, 9-(2-Phosphonylmethoxypropyl)adenine, (R)-isomer - T357098, 9-(2-phosphonylmethoxypropyl)adenine, (S)-isomer, 9-PMPA (tenofovir), Disoproxil Fumarate, Tenofovir, Disoproxil, Tenofovir, Fumarate, Tenofovir Disoproxil, tenofovir, tenofovir disoproxil, tenofovir disoproxil fumarate, Viread, Tenofovir disoproxil, 201341-05-1, PMPA prodrug, Bis(POC)PMPA, Tenofovir (Disoproxil), UNII-F4YU4LON7I, 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine, F4YU4LON7I, CHEBI:63717, tenofovir bis(isopropyloxycarbonyloxymethyl) ester, Tenofovir Disoproxil Fumarate, [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl carbonate, bis({[(propan-2-yloxy)carbonyl]oxy}methyl) ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate, 9-[(r)-2-[[bis[[(isopropoxycarbonyl)oxy]methoxy]phosphinyl]methoxy]propyl]adenine, C19H30N5O10P, AK-72919, AC1NUKHG, 202138-50-9, CHEMBL1538, SCHEMBL52793, MLS006010919, DTXSID5052757, BDBM77145, JFVZFKDSXNQEJW-CQSZACIVSA-N, Bis(isopropyloxymethylcarbonyl)PMPA, [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate, ZINC3929022, AN-263, HY-13782A, MFCD00952920, AKOS015895093, Viread(TM) (*1:1 Fumarate salt*), API0004347, CS-5922, DB00300, RL02512, NCGC00183876-02, AN-10912, SC-44103, SMR004701787, AX8019217, GS 4331-05 (*1:1 Fumarate salt*), LS-187012, LS-187786, FT-0653459, ST24031675, W4257, C13480, AB01568241_01, 138T509, J-519478, 9-[(R)-2-[[Bis[[(isopropoxycarbonyl)oxy] methoxy]phosphinyl]methoxy]propyl]adenine, (R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate), (R)-(((1-(6-amino-9H-purin-9-yl)propan-2-yloxy)methyl)phosphoryl)bis(oxy)bis(methylene) isopropyl dicarbonate, 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide, Viread, Tenofovir, Tenofovirdisoproxil, Disoproxil, Tenofovir, 9-PMPA (tenofovir), cc-668, Disoproxil Fumarate, Tenofovir, Fumarate, Tenofovir Disoproxil, 9-(2-Phosphonomethoxypropyl)adenine, 9-(2-Phosphonylmethoxypropyl)adenine, ACN-052255, C19-H30-N5-O10-P, CID5481350, CS-O-02506, (R)-9-(2-Phosphonylmethoxypropyl)adenine, 9-(2-phosphonylmethoxypropyl)adenine, (S)-isomer, 9-(2-phosphonylmethoxypropyl)adenine, (+-)-isomer, D000068698, (R)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl dicarbonate, 9-(2-Phosphonylmethoxypropyl)adenine, (R)-isomer - T357098, Bis(isopropyloxymethylcarbonyl) 9-(2-phosphonomethoxypropyl)adenine, (R)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopro, TDF,

Complexity	698
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	519.173g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	519.448g/mol
Monoisotopic Mass	519.173g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	185A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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