AG00393G

113852-37-2 | [1-(4-Amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid

AG00393G

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CAS Number	113852-37-2
Catalog Number	AG00393G(AGN-PC-0P5H91)
Chemical Name	[1-(4-Amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
IUPAC Name	[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
InChI	InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
InChI Key	VWFCHDSQECPREK-LURJTMIESA-N
MDL Number	MFCD16556167
Molecular Formula	C8H14N3O6P
Molecular Weight	279.1870
NSC Number	742135
SMILES	O=P(CO[C@@H](CN1C=CC(N)=NC1=O)CO)(O)O
UNII	768M1V522C
Synonyms	1-((3-hydroxy-2-phosphonylmethoxy)propyl)cytosine, 1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine, cidofovir, cidofovir anhydrous, cidofovir sodium, cidofovir, (+-)-isomer, cidofovir, (R)-isomer, cidofovir, sodium salt, GS 504, GS-504, GS504, HPMPC, Vistide, Cidofovir, Vistide, 113852-37-2, HPMPC, Cidofovir anhydrous, (S)-HPMPC, Cidofovirum, GS-504, Cidofovir (Vistide), Cidofovir (anhydrous), GS 0504, (S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cytosine, C8H14N3O6P, CDV, UNII-768M1V522C, HSDB 7115, GS-0504, (S)-1-[3-hydroxy-2-(phosphonylmethoxy)propyl]cytosine, CHEBI:3696, [1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid, ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, (S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine, 768M1V522C, NCGC00184994-01, [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid, J-502695, (S)-HPMPC; Cidovir, 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine, 1-[(S)-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine, Forvade, (S)-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-hydroxypropan-2-yloxy)methylphosphonic acid, [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid, [(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-hydroxymethyl-ethoxymethyl]-phosphonic acid, Cidofovir [INN], ({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, Phosphonic acid, ((2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-, GS504, GS 504, Cidofovir gel, Cidofovir,Vistide, 1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine, Cidofovir(Vistide), Forvade (TM), Cidofovir(anhydrous), Cidofovir, anhydrous, AC1L1TLB, CHEMBL152, SCHEMBL3948, DSSTox_CID_23734, DSSTox_RID_80069, DSSTox_GSID_43734, (2S)-3-Hydroxy-2-phosphonylmethoxypropyl-cytosine, MLS003915629, AC1Q6C68, (S)-1-[3-hydroxy-2-(phosphonylmethoxy)-propyl]cytosine, DTXSID3043734, BDBM31915, VWFCHDSQECPREK-LURJTMIESA-N, 1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]-cytosine dihydrate, BCP03734, EBD21562, KS-00000XN7, ZINC1530600, Tox21_112994, BG0579, CC0162, MFCD00866936, MFCD17215968, NSC742135, s1516, AKOS005145721, AKOS015854828, AC-1666, AN-8255, API0002008, BCP9000528, CS-1669, DB00369, GS-6438, NSC-742135, (s)-[[2-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid, (S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl-1-(hydroxymethyl)ethoxy)methyl phosphonic acid, NCGC00184994-02, NCGC00184994-03, AN-14714, BC209905, HY-17438, SMR002544687, BCP0726000147, LS-106432, CAS-113852-37-2, FT-0623818, AB01566823_01, 394C661, SR-01000931969, SR-01000931969-2, [[(S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid, ({[(S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, (S)-(((1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic acid, L8P, Phosphonic acid, [[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, Phosphonic acid,[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, Cidofovir dihydrate, cidovir, sidofovir, Cidofovir hydrate, Cidofovir sodium, anhydrous cidofovir, Vistide, Cidofovir, Vistide (TN), cidofovir monophosphate, cidofovir, sodium salt, cidofovir, (R)-isomer, Cidofovir [INN:BAN], Cidofovir [USAN:INN], cidofovir, (+-)-isomer, D04AAW, UNII-JIL713Q00N, cc-166, Cidofovir [USAN:INN:BAN], HPMPC & D5-dgA immunotoxin, C8H14N3O6P.2H2O, CID60613, DRG-0145, C8-H14-N3-O6-P, C8-H14-N3-O6-P.2H2-O, A5790, A10214, 149394-66-1, 1-((3-hydroxy-2-phosphonylmethoxy)propyl)cytosine, C059262, D000077404, 1-((S)-3-Hydroxy-2-(phosphonomethoxy)propyl)cytosine dihydrate, (((S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)phosphonic acid, dihydrate, P-[[(1S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid, Phosphonic acid, (((1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	279.062g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	279.189g/mol
Monoisotopic Mass	279.062g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H350-H360
Packing Group	Ⅲ
Precautionary statements	P264-P270-P280-P301+P310-P302+P352-P321-P330-P332+P313-P362-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number