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850252-50-5 | [4,5'-Bi-1,3-dioxan]-5-one, 5'-hydroxy-2,2,2',2'-tetramethyl-, (4S)-
CAS No: 850252-50-5 Catalog No: AG004TDP MDL No:
Product Description
Catalog Number:
AG004TDP
Chemical Name:
[4,5'-Bi-1,3-dioxan]-5-one, 5'-hydroxy-2,2,2',2'-tetramethyl-, (4S)-
CAS Number:
850252-50-5
Molecular Formula:
C12H20O6
Molecular Weight:
260.2836
IUPAC Name:
(4S)-4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one
InChI:
InChI=1S/C12H20O6/c1-10(2)16-6-12(14,7-17-10)9-8(13)5-15-11(3,4)18-9/h9,14H,5-7H2,1-4H3/t9-/m1/s1
InChI Key:
OCJBULYJLQYHAN-SECBINFHSA-N
SMILES:
O=C1COC(O[C@H]1C1(O)COC(OC1)(C)C)(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.286g/mol
Monoisotopic Mass:
260.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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