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13121-61-4 | D-Mannitol, 1,5-anhydro-, 2,3,4,6-tetraacetate
CAS No: 13121-61-4 Catalog No: AG000VQF MDL No:
Product Description
Catalog Number:
AG000VQF
Chemical Name:
D-Mannitol, 1,5-anhydro-, 2,3,4,6-tetraacetate
CAS Number:
13121-61-4
Molecular Formula:
C14H20O9
Molecular Weight:
332.3032
IUPAC Name:
(3,4,5-triacetyloxyoxan-2-yl)methyl acetate
InChI:
InChI=1S/C14H20O9/c1-7(15)19-5-11-13(22-9(3)17)14(23-10(4)18)12(6-20-11)21-8(2)16/h11-14H,5-6H2,1-4H3
InChI Key:
ULWHEXUWXLOVPV-UHFFFAOYSA-N
SMILES:
CC(=O)OC[C@H]1OC[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
NSC Number:
231899
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.305g/mol
Monoisotopic Mass:
332.111g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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