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173371-55-6 | 1,4-Dioxane-2,3-dimethanol, 5,6-dimethoxy-5,6-dimethyl-, (2S,3S,5R,6R)-
CAS No: 173371-55-6 Catalog No: AG001YUQ MDL No:MFCD20265640
Product Description
Catalog Number:
AG001YUQ
Chemical Name:
1,4-Dioxane-2,3-dimethanol, 5,6-dimethoxy-5,6-dimethyl-, (2S,3S,5R,6R)-
CAS Number:
173371-55-6
Molecular Formula:
C10H20O6
Molecular Weight:
236.2622
MDL Number:
MFCD20265640
IUPAC Name:
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
InChI:
InChI=1S/C10H20O6/c1-9(13-3)10(2,14-4)16-8(6-12)7(5-11)15-9/h7-8,11-12H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChI Key:
RAIJJZVROJTPEU-AXTSPUMRSA-N
SMILES:
OC[C@@H]1O[C@@](C)(OC)[C@](O[C@H]1CO)(C)OC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
236.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.264g/mol
Monoisotopic Mass:
236.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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