AG008HUJ

83-87-4 | (3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate

AG008HUJ

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CAS Number	83-87-4
Catalog Number	AG008HUJ(AGN-PC-0OIWYC)
Chemical Name	(3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate
EC Number	617-497-0
IUPAC Name	[(2R,3R,4S,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
InChI	InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16?/m1/s1
InChI Key	LPTITAGPBXDDGR-IWQYDBTJSA-N
MDL Number	MFCD11706980
Molecular Formula	C16H22O11
Molecular Weight	390.3393
SMILES	O=C(OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)O1)C
Synonyms	83-87-4, D-Glucopyranose, pentaacetate, Penta-O-acetyl-D-glucopyranose, (3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate, 1,2,3,4,6-Penta-O-acetyl-D-glucopyranose, Peracetylglucose, Pentaacetyl-dextro-glucose, alpha,beta-D-Glucose Pentaacetate, 1,2,3,4,6-Pentaacetyl-D-glucose, Glucose 1,2,3,4,6-pentaacetate, D-, Peracetylated D-glucose, glucopyranose pentaacetate, D-Glucopyranose pentaacetate, SCHEMBL313806, CTK5F1343, DTXSID70232114, LPTITAGPBXDDGR-IWQYDBTJSA-N, CS-M3449, KS-00000TD6, CP0145, MFCD00080787, AKOS025310965, DS-9971, D-Glucopyranose,1,2,3,4,6-pentaacetate, FT-0080998, ST24026159, 10.14272/LPTITAGPBXDDGR-IWQYDBTJSA-N, 1,2,3,4,6-penta-o-acetyl-alpha,beta-d-glucose, 10.14272/LPTITAGPBXDDGR-IWQYDBTJSA-N.1, doi:10.14272/LPTITAGPBXDDGR-IWQYDBTJSA-N, doi:10.14272/LPTITAGPBXDDGR-IWQYDBTJSA-N.1, 1,2,3,4,6-Penta-O-acetyl-alpha,beta-D-glucopyranose, Glucose acetate, Pentaacetyl-D-glucose, Glucose pentaacetate, alpha-D-Glucose pentaacetate, alpha-d-Glucosepentaacetate, beta-D-Galactose pentaacetate, C16H22O11, C16-H22-O11, CID10293747, 1,2,3,4,6-Penta-O-acetyl-Dglucopyranose, (2R,3R,4S,5R)-6-Oxohexane-1,2,3,4,5-pentayl pentaacetate, 3891-59-6,

Complexity	599
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	390.116g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	390.341g/mol
Monoisotopic Mass	390.116g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	141A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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