AG0080M1

122567-97-9 | ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate

AG0080M1

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CAS Number	122567-97-9
Catalog Number	AG0080M1(AGN-PC-0O0FW0)
Chemical Name	((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate
IUPAC Name	[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl benzoate
InChI	InChI=1S/C17H16N2O5/c1-11-9-19(17(22)18-15(11)20)14-8-7-13(24-14)10-23-16(21)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,18,20,22)/t13-,14+/m0/s1
InChI Key	BKZQWZPYZIYYAQ-UONOGXRCSA-N
MDL Number	MFCD00871194
Molecular Formula	C17H16N2O5
Molecular Weight	328.3193
SMILES	CC1=CN([C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)C=C2)C(=O)NC1=O
Synonyms	122567-97-9, ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate, 5'-benzoyl-D4T, Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-benzoate, 5'-Benzoyl-2',3'-dideoxy-2',3'-didehydrothymidine, [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl benzoate, [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl benzoate, AC1L9QEI, SCHEMBL8405217, CTK8C3933, KS-00000QPK, DTXSID20153648, BKZQWZPYZIYYAQ-UONOGXRCSA-N, ZINC389024, 4294AA, 4295AA, ANW-70828, MFCD00871194, AKOS003621927, DS-4433, RL01028, AJ-20779, FT-0655870, 5'-O-Benzoyl-3'-deoxy-2',3'-didehydrothymidine, I06-1246, J-502684, 1-(5-O-Benzoyl-2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, C10H9NO3, AIDS002042, C17H16N2O5, 2-(2-Oxoindolin-4-yl)acetic acid, CID452583, Thymidine, 2/',3/'-didehydro-3/'-deoxy-, 5/'-benzoate, 5'-Benzoyl-2',3'-didehydro-3'-deoxythymidine (5'-benzoyl-d4T), ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methylbenzoate, 122570-32-5,

Complexity	592
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	328.106g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	328.324g/mol
Monoisotopic Mass	328.106g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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