AG000QLY

125971-94-0 | 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-

AG000QLY

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	125971-94-0
Catalog Number	AG000QLY(AGN-PC-0PI5H8)
Chemical Name	1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
IUPAC Name	tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChI	InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m1/s1
InChI Key	DPNRMEJBKMQHMC-GHMZBOCLSA-N
MDL Number	MFCD00103179
Molecular Formula	C14H23NO4
Molecular Weight	269.3367
SMILES	O=C(OC(C)(C)C)C[C@@H]1OC(C)(C)O[C@H](CC#N)C1
Synonyms	125971-94-0, (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, tert-Butyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate, (4R-Cis)-1,1-Dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-, DPNRMEJBKMQHMC-GHMZBOCLSA-N, MFCD03093958, PubChem5924, AC1MC0S5, SCHEMBL1261056, CTK8A9608, DTXSID60370195, (4R,Cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, EBD34864, KS-000015JI, ZINC4284040, ANW-18567, CB-398, CT0011, SBB067081, AKOS015836105, AKOS015900124, AC-6849, ACN-031787, AM90282, AN-6900, RP29586, RTR-003835, (4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester, AJ-50159, AK-50665, AS-13571, I734, AB0013864, AB1009642, AX8005737, DB-018023, ST2419908, TL8000705, B3642, FT-0656998, ST50405960, 71B940, 971B940, C-16920, I14-2702, Q-102783, (3R,5R)-6-Cyano-3,5-(isopropylidenebisoxy)hexanoic acid tert-butyl ester, (4R,3R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4acetate, tert-Butyl (3R,5R)-6-cyano-3,5-o-iso-propylidene-3,5-dihydroxyhexanoate, tert-Butyl (4R,3R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, tert-Butyl(4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, ((4R,6R)-6-Cyanomethyl-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester, (+/-)-cis-1,1-dimethyl-ethyl 6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (+/-)-cis-1,1-dimethylethyl 6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R cis) 1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R cis) 1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane4-acetate, (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, 97%, (4R-cis)-1,1 dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-1,1-dimethyethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4 -acetate, (4r-cis)-1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl1,3-dioxane-4-acetate, 1,1-Dimethylethyl 2-[(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, 97%, tert-Butyl [(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, (2S)-2-(Butylsulfonylamino)-3-{4-[4-(4-piperidyl)butoxy}phenyl propanoic acid; N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine, ATS-8(for Atorvastatin), C14H23NO4, ZINC04284040, CB11388, CID2734287, 1357600-18-0,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	269.163g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.341g/mol
Monoisotopic Mass	269.163g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	68.6A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number