Home Other Building Blocks (3Ar,4r,5r,6as)-4-((e)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-5-hydroxyhexahydro-2h-cyclopenta[b]furan-2-one

(3Ar,4r,5r,6as)-4-((e)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-5-hydroxyhexahydro-2h-cyclopenta[b]furan-2-one

CAS No.:
209861-01-8
Catalog Number:
AG002KG6
Molecular Formula:
C17H18F2O4
Molecular Weight:
324.3192
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Product Description
Catalog Number:
AG002KG6
Chemical Name:
(3Ar,4r,5r,6as)-4-((e)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-5-hydroxyhexahydro-2h-cyclopenta[b]furan-2-one
CAS Number:
209861-01-8
Molecular Formula:
C17H18F2O4
Molecular Weight:
324.3192
MDL Number:
MFCD09833710
IUPAC Name:
(3aR,4R,5R,6aS)-4-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
InChI:
InChI=1S/C17H18F2O4/c18-17(19,10-22-11-4-2-1-3-5-11)7-6-12-13-8-16(21)23-15(13)9-14(12)20/h1-7,12-15,20H,8-10H2/b7-6+/t12-,13-,14-,15+/m1/s1
InChI Key:
SJHMQXMERUQDSR-BNBDNKSYSA-N
SMILES:
O=C1O[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/C(COc1ccccc1)(F)F
Properties
Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
1  
Exact Mass:
324.117g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.324g/mol
Monoisotopic Mass:
324.117g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties