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Home > Other Heterocycles > 665-27-0

665-27-0

665-27-0 | 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, (1S,3R,4R,5R)-

CAS No: 665-27-0 Catalog No: AG006KR5 MDL No:

Product Description

Catalog Number:
AG006KR5
Chemical Name:
6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, (1S,3R,4R,5R)-
CAS Number:
665-27-0
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
IUPAC Name:
(1S,3R,4R,5R)-1,3,4-trihydroxy-6-oxabicyclo[3.2.1]octan-7-one
InChI:
InChI=1S/C7H10O5/c8-3-1-7(11)2-4(5(3)9)12-6(7)10/h3-5,8-9,11H,1-2H2/t3-,4-,5-,7+/m1/s1
InChI Key:
QPJRIFFWEBJVFN-WYWMIBKRSA-N
SMILES:
O[C@@H]1[C@H](O)C[C@@]2(C[C@H]1OC2=O)O
UNII:
3WCU7C8534

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  

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