AG00C0M4

40733-27-5 | Thymidine, 3'-O-[(1,1-dimethylethyl)dimethylsilyl]-

AG00C0M4

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CAS Number	40733-27-5
Catalog Number	AG00C0M4(AGN-PC-0OA721)
Chemical Name	Thymidine, 3'-O-[(1,1-dimethylethyl)dimethylsilyl]-
IUPAC Name	1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI	InChI=1S/C16H28N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(12(9-19)22-13)23-24(5,6)16(2,3)4/h8,11-13,19H,7,9H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m0/s1
InChI Key	QAPSNMNOIOSXSQ-YNEHKIRRSA-N
MDL Number	MFCD01631040
Molecular Formula	C16H28N2O5Si
Molecular Weight	356.4894
SMILES	OC[C@H]1O[C@H](C[C@@H]1O[Si](C(C)(C)C)(C)C)n1cc(C)c(=O)[nH]c1=O
Synonyms	40733-27-5, 3'-O-(t-butyldimethylsilyl)thymidine, Thymidine, 3'-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3'-O-(tert-butyldimethylsilyl)thymidine, 1-((2R,4S,5R)-4-((tert-butyldimethylsilyl)oxy)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, 3'-DiTBSRiboT, TBS-T, AC1L9R7P, SCHEMBL733403, 3'-O-(TBDMS)THYMIDINE, CHEMBL3142420, CTK1D4326, DTXSID60332379, QAPSNMNOIOSXSQ-YNEHKIRRSA-N, 3'-O-t-butyldimethylsilylthymidine, 3'-O-t-Butyldimethylsilyl thymidine, 3'-O-t-BulyldiMethylsilyl thyMidine, MFCD01631040, ZINC195758551, 3'-O-(t-butyldimethylsilyl)-thymidine, 3'-O-(tert-butyldimethylsilyl) thymidine, BP-21511, DS-12409, 3'--O--(tert-butyldimethylsilyl) thymidine, 3'-O-tert-butyldimethylsilyl-2'-deoxythymidine, 3'-(t-Butyldimethylsilyl)erythrofuranosylthymine, 3'-O-[(1,1-dimethylethyl)dimethylsilyl]thymidine, 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione, AIDS003917, CID453844, Thymidine,3'-O-[(1,1-dimethylethyl)dimethylsilyl]-,

Complexity	555
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	356.177g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	356.494g/mol
Monoisotopic Mass	356.177g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	88.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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