AG00ID7G

817204-32-3 | Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-2'-methyl-, 3',5'-dibenzoate,(2'R)-

AG00ID7G

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CAS Number	817204-32-3
Catalog Number	AG00ID7G(AGN-PC-0UKN2G)
Chemical Name	Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-2'-methyl-, 3',5'-dibenzoate,(2'R)-
EC Number	807-677-9
IUPAC Name	[(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
InChI	InChI=1S/C31H26FN3O7/c1-31(32)25(42-28(38)22-15-9-4-10-16-22)23(19-40-27(37)21-13-7-3-8-14-21)41-29(31)35-18-17-24(34-30(35)39)33-26(36)20-11-5-2-6-12-20/h2-18,23,25,29H,19H2,1H3,(H,33,34,36,39)/t23-,25-,29-,31-/m1/s1
InChI Key	MXEQSUUFNWPUJH-RDWHIKKYSA-N
MDL Number	MFCD23106344
Molecular Formula	C31H26FN3O7
Molecular Weight	571.5524
SMILES	O=C(O[C@@H]1[C@@H](COC(C2=CC=CC=C2)=O)O[C@@H](N3C=CC(NC(C4=CC=CC=C4)=O)=NC3=O)[C@@]1(F)C)C5=CC=CC=C5
Synonyms	817204-32-3, (2R,3R,4R,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate, (2'R)-N-Benzoyl-2'-deoxy-2'-fluoro-2'-Methylcytidine 3',5'-dibenzoate, [(2R,3R,4R,5R)-5-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-3-(benzoyloxy)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate, N4,3',5'-tri-O-benzoyl-2'-deoxy-2'-fluoro-2'-C-methylcytidine, Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-2'-methyl-, 3',5'-dibenzoate,(2'R)-, PSI-6130 derivative, AK170353, SCHEMBL12202843, AMMD00044, C31H26FN3O7, CS-M3033, 2855AH, MFCD23106344, ZINC97972384, AKOS025290708, AM85920, DS-7573, PB38796, SB10691, KS-0000040R, AC-27671, (2R)-N-Benzoyl-2-deoxy-2-fluoro-2-Methylcytidine 3,5-dibenzoate, N,3'-O,5'-O-Tribenzoyl-2'-fluoro-2'-C-methyl-2'-deoxycytidine, Cytidine,N-benzoyl-2'-deoxy-2'-fluoro-2'-methyl-,3',5'-dibenzoate,(2'R)-, (2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-(benzoyloxymethyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate, MXEQSUUFNWPUJH-RDWHIKKYSA-N, ACN-029008, CID11330583, CID 11330583, Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-2'-methyl-, 3',5'-dibenzoate, (2'R)-, ((2R,3S,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-4-fluoro-4-methyl-3-((phenoxycarbonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate,

Complexity	1080
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	571.175g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	571.561g/mol
Monoisotopic Mass	571.175g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

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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