AG001EMM

147126-65-6 | (2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate

AG001EMM

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CAS Number	147126-65-6
Catalog Number	AG001EMM(AGN-PC-0PZVEI)
Chemical Name	(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate
IUPAC Name	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
InChI	InChI=1S/C16H26O5S/c1-9(2)12-6-5-10(3)7-13(12)20-15(18)16-21-14(8-22-16)19-11(4)17/h9-10,12-14,16H,5-8H2,1-4H3/t10-,12+,13-,14+,16-/m1/s1
InChI Key	JYUPOLQFLIRYEQ-QPVMMRRFSA-N
MDL Number	MFCD28144932
Molecular Formula	C16H26O5S
Molecular Weight	330.4396
SMILES	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]2O[C@@H](CS2)OC(=O)C
Synonyms	147126-65-6, (2R,5S)-L-Menthyl-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate, (2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate, CTK8E6821, DTXSID80652627, ZINC22062030, AKOS024464991, AJ-80896, AK161414, AX8018432, RT-013460, 4CH-022958, FT-0671004, J-008316, (2R,5S)-L-Menthol-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-acetoxy-1,3-oxathiolane-2-carboxylate, (1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl (2R,5S)-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate, (2R,5S)-5-(Acetyloxy)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester, 1,3-Oxathiolane-2-carboxylicacid, 5-(acetyloxy)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester,(2R,5S)- (9CI), (5R)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate, 1,2,5-Menthyl-5(S)-acetoxy-[1,3]-oxathiolene-2-(R)-carboxylate, (5R)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate, 95% - 1G 1g,

Complexity	411
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	330.15g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.439g/mol
Monoisotopic Mass	330.15g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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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