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Home > Other Heterocycles > 129745-61-5
129745-61-5 | 7-Oxabicyclo[2.2.1]heptan-2-one, 5,6-dihydroxy-, (1R,4R,5S,6S)-
CAS No: 129745-61-5 Catalog No: AG000TN2 MDL No:
Product Description
Catalog Number:
AG000TN2
Chemical Name:
7-Oxabicyclo[2.2.1]heptan-2-one, 5,6-dihydroxy-, (1R,4R,5S,6S)-
CAS Number:
129745-61-5
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
(1R,4R,5S,6S)-5,6-dihydroxy-7-oxabicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C6H8O4/c7-2-1-3-4(8)5(9)6(2)10-3/h3-6,8-9H,1H2/t3-,4-,5+,6+/m1/s1
InChI Key:
MFMUEURSRSNFCA-ZXXMMSQZSA-N
SMILES:
O=C1C[C@H]2O[C@@H]1[C@H]([C@@H]2O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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