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114826-79-8 | 2H-Cyclopenta[b]furan-2-one, hexahydro-5-(phenylmethoxy)-4-[(phenylmethoxy)methyl]-, (3aS,4R,5S,6aR)-
CAS No: 114826-79-8 Catalog No: AG000FB0 MDL No:MFCD23115468
Product Description
Catalog Number:
AG000FB0
Chemical Name:
2H-Cyclopenta[b]furan-2-one, hexahydro-5-(phenylmethoxy)-4-[(phenylmethoxy)methyl]-, (3aS,4R,5S,6aR)-
CAS Number:
114826-79-8
Molecular Formula:
C22H24O4
Molecular Weight:
352.4236
MDL Number:
MFCD23115468
IUPAC Name:
(3aS,4R,5S,6aR)-5-phenylmethoxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
InChI:
InChI=1S/C22H24O4/c23-22-11-18-19(15-24-13-16-7-3-1-4-8-16)20(12-21(18)26-22)25-14-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-,20-,21+/m0/s1
InChI Key:
LGJKDUUDZFLNNE-XSDIEEQYSA-N
SMILES:
O=C1C[C@@H]2[C@H](O1)C[C@@H]([C@H]2COCc1ccccc1)OCc1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
352.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.43g/mol
Monoisotopic Mass:
352.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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