AG002DVX

18968-05-3 | β-D-Mannopyranose, 1,3,4,6-tetraacetate

AG002DVX

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CAS Number	18968-05-3
Catalog Number	AG002DVX(AGN-PC-0QJ4H3)
Chemical Name	β-D-Mannopyranose, 1,3,4,6-tetraacetate
EC Number	606-186-5
IUPAC Name	[(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
InChI	InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12-,13-,14-/m1/s1
InChI Key	SHBHJRVMGYVXKK-XVIXHAIJSA-N
MDL Number	MFCD00012354
Molecular Formula	C14H20O10
Molecular Weight	348.3026
SMILES	O[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Synonyms	18968-05-3, 1,3,4,6-Tetra-O-acetyl-beta-d-mannopyranose, 1,3,4,6-Tetra-o-acetyl-b-D-mannopyranose, (2S,3S,4R,5R,6R)-6-(Acetoxymethyl)-3-hydroxytetrahydro-2H-pyran-2,4,5-triyl triacetate, SHBHJRVMGYVXKK-XVIXHAIJSA-N, AK-33875, b-D-Mannopyranose,1,3,4,6-tetraacetate, [(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate, 1,3,4,6-Tetra-O-acetylhexopyranose #, PubChem2355, AC1OJJ7Y, SCHEMBL3190848, CTK8B1086, DTXSID80428485, ZINC4521846, ANW-23452, MFCD00012354, AKOS022176185, VZ20491, AJ-51462, CC-03011, DS-12583, SC-02047, 1,3,4,6-Tetraacetate |A-D-Mannopyranose, AX8053560, beta-D-Mannopyranose 1,3,4,6-tetraacetate, TR-008791, FT-0637773, 1,3,4,6-Tetra-O-acetyl-$b-D-mannopyranose, 1,3,4,6-Tetra-O-acetyl-|A-D-mannopyranose, 1,3,4,6-Tetra-O-acetyl-ss-D-mannopyranose, beta-D-Mannopyranose, 1,3,4,6-tetraacetate, K-5679, C-20555, J-640427, J-800481, W-201695, 1,3,4,6-Tetra-O-acetyl-beta-D-mannopyranose, 98%, 1,4-Diiodobutane, NSC231870, CB11588, CID7269409, Natural 3-methylbutyl 2-methylbutyrate, 1,3,4,6-Tetra-O-acetyl-?-D-mannopyranose, T1459, |A-D-Mannopyranose 1,3,4,6-tetra-O-acetate, 1,3,4,6-Tetra-O-acetyl-beta-D-mannopyranose, 98% - 1G 1g,

Complexity	502
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	348.106g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	348.304g/mol
Monoisotopic Mass	348.106g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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