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121496-67-1 | 5H-Pyrano[3,2-d]oxazole-5-methanol, 6-fluoro-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, (3aR,5R,6S,7R,7aR)-
CAS No: 121496-67-1 Catalog No: AG00152N MDL No:
Product Description
Catalog Number:
AG00152N
Chemical Name:
5H-Pyrano[3,2-d]oxazole-5-methanol, 6-fluoro-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, (3aR,5R,6S,7R,7aR)-
CAS Number:
121496-67-1
Molecular Formula:
C8H12FNO4
Molecular Weight:
205.1836
IUPAC Name:
(3aR,5R,6S,7R,7aR)-6-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-7-ol
InChI:
InChI=1S/C8H12FNO4/c1-3-10-6-7(12)5(9)4(2-11)14-8(6)13-3/h4-8,11-12H,2H2,1H3/t4-,5-,6-,7+,8+/m1/s1
InChI Key:
XOBKCFKVDMYWCW-YQXRAVKXSA-N
SMILES:
OC[C@H]1O[C@@H]2OC(=N[C@@H]2[C@H]([C@@H]1F)O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
205.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.185g/mol
Monoisotopic Mass:
205.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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