AG007DN0

159414-98-9 | N4-Acetyl-5'-o-(4,4'-dimethoxytrityl)-2'-fluoro-2'-deoxycytidine

AG007DN0

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CAS Number	159414-98-9
Catalog Number	AG007DN0(AGN-PC-0Q7NFX)
Chemical Name	N4-Acetyl-5'-o-(4,4'-dimethoxytrityl)-2'-fluoro-2'-deoxycytidine
IUPAC Name	N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
InChI	InChI=1S/C32H32FN3O7/c1-20(37)34-27-17-18-36(31(39)35-27)30-28(33)29(38)26(43-30)19-42-32(21-7-5-4-6-8-21,22-9-13-24(40-2)14-10-22)23-11-15-25(41-3)16-12-23/h4-18,26,28-30,38H,19H2,1-3H3,(H,34,35,37,39)/t26-,28-,29-,30-/m1/s1
InChI Key	JIFNUYITABZZQS-PYYPWFDZSA-N
MDL Number	MFCD06657637
Molecular Formula	C32H32FN3O7
Molecular Weight	589.6108
SMILES	CC(NC(C=CN1[C@@H]2O[C@H](COC(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5)[C@@H](O)[C@H]2F)=NC1=O)=O
Synonyms	159414-98-9, N-Acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-cytidine, N-(1-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide, N4-Acetyl-2'-deoxy-5'-O-DMT-2'-fluorocytidine, N4-Acetyl-5'-O-(4,4'-dimethoxytrityl)-2'-fluoro-2'-deoxycytidine, SCHEMBL4583137, C32H32FN3O7, CTK8C0074, DTXSID60622383, 8017AA, ANW-64053, HG1118, MFCD06657637, ZINC100035700, AK-54698, AB0088025, RT-014632, ST24048252, K-4993, 2'-Fluoro-N4-Acetyl-5'-O-DMT-2'-deoxycytidine, 414F989, 5?-O-DMT-N4-Aceyl-2?-fluoro-2?-deoxycytidine, 2'-Fluoro-5'-O-dimethoxytrityl-n4-acetyl-cytidine, 5-O-DMT-N4-ACETYL-2-FLUORO-2-DEOXYCYTIDINE, 5'-O-DMT-N4-ACETYL-2'-FLUORO-2'-DEOXYCYTIDINE, N-Acetyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-2'-fluorocytidine, N-Acetyl-5'-o-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoroCytidine, N-(1-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl, JIFNUYITABZZQS-PYYPWFDZSA-N, 5'-ODMT-2'-F-N-Acetyl-2'-Deoxycytidine,

Complexity	994
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	589.222g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	589.62g/mol
Monoisotopic Mass	589.222g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	119A^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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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